Propoxur


PubChem CID 4944
Molecular Formula C11H15NO3
Structure Compound Image
Synonyms
propoxur
114-26-1
Baygon
2-Isopropoxyphenyl methylcarbamate
Aprocarb
Propoxure
Sendran
Propoxylor
Blattanex
Blattosep
Mrowkozol
Propotox
Suncide
Bolfo
Boruho
Brygou
2-Isopropoxyphenyl N-methylcarbamate
Dalf dust
Invisi-Gard
Arprocarb
Isocarb
Propyon
Rhoden
Bifex
Boruho 50
IPMC
o-Impc
Tugon fliegenkugel
Unden (Pesticide)
Bayer B 5122
Bayer 39007
Propoksuru
Chemagro 9010
Unden 50PM
PHC 7
2-(1-Methylethoxy)phenol methylcarbamate
Bay 9010
ENT 25,671
Phenol, 2-(1-methylethoxy)-, methylcarbamate
O-(2-Isopropoxyphenyl) N-methylcarbamate
BAY 5122
o-Isopropoxyphenyl N-methylcarbamate
BAY 39007
Phenol, o-isopropoxy-, methylcarbamate
2-(1-methylethoxy)phenyl methylcarbamate
CHEBI:34938
o-Isopropoxyphenyl methylcarbamate
2-Isopropoxyphenyl-N-methylcarbamat
Carbamic acid, methyl-, o-isopropoxyphenyl ester
NSC-379584
2-Methylethoxyphenyl carbamate
2-(1-Methylethoxy)phenyl N-methylcarbamate
BFH029TL73
(2-propan-2-yloxyphenyl) N-methylcarbamate
DTXSID7021948
2-(propan-2-yloxy)phenyl methylcarbamate
2-[(1-methylethyl)oxy]phenyl methylcarbamate
PHC (carbamate)
DTXCID301948
Propoksuru [Polish]
Caswell No. 508
CAS-114-26-1
NSC 379584
CCRIS 1392
HSDB 603
OMS-33
Propoxur [INN:BAN]
EINECS 204-043-8
EPA Pesticide Chemical Code 047802
BRN 1879891
UNII-BFH029TL73
Pillargon
Propogon
Boygon
AI3-25671
OMS 33
2-Isopropoxyphenyl-N-methylcarbamat [German]
Propoxur (BAN)
Bolfo (TN)
Spectrum_001923
PROPOXUR [HSDB]
SpecPlus_000554
PROPOXUR [JAN]
PROPOXUR [MI]
Spectrum2_001232
Spectrum3_000857
Spectrum4_000697
Spectrum5_002032
PROPOXUR [MART.]
SCHEMBL27794
BSPBio_002473
KBioGR_001193
KBioSS_002465
SPECTRUM330066
MLS002207242
BIDD:ER0307
DivK1c_006650
SPBio_001104
Isopropoxyphenyl methylcarbamate
CHEMBL446060
ISRUGXGCCGIOQO-UHFFFAOYSA-
KBio1_001594
KBio2_002458
KBio2_005026
KBio2_007594
KBio3_001973
HMS3264G19
Pharmakon1600-00330066
HY-B0916
2-Isopropoxyphenyl-N-methylcarbamate
N-Methyl-2-isopropoxyphenylcarbamate
Tox21_201968
Tox21_301207
BDBM50064617
CCG-39115
MFCD00055455
NSC379584
NSC755890
AKOS015889907
NSC-755890
NCGC00094544-01
NCGC00094544-02
NCGC00094544-03
NCGC00094544-04
NCGC00094544-05
NCGC00094544-06
NCGC00094544-07
NCGC00255104-01
NCGC00259517-01
1ST20270
AS-50078
SMR000778062
2-(1-Methylethoxy)phenyl methyl carbamate
SBI-0052551.P002
DB-041207
NS00010600
P2894
Propoxur, PESTANAL(R), analytical standard
D08442
O10810
AB00053059_04
Q411303
SR-01000872751
J-003071
SR-01000872751-1
BRD-K08231299-001-08-1
Phenol, 2-(1-methylethoxy)-, 1-(N-methylcarbamate)
Carbamic acid, methyl-, 2-(1-methylethoxy)phenyl ester
InChI=1/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)
PHC

Computed Descriptors


IUPAC Name (2-propan-2-yloxyphenyl) N-methylcarbamate
SMILES CC(C)OC1=CC=CC=C1OC(=O)NC
Canonical SMILES CC(C)OC1=CC=CC=C1OC(=O)NC
InChI InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)
InChIKey ISRUGXGCCGIOQO-UHFFFAOYSA-N

Computed Properties

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Molecular Weight 209.24 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 209.105
Monoisotopic Mass 209.105
Topological Polar Surface Area 47.6
Heavy Atom Count 15
Formal Charge 0
Complexity 206
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1

Annotation

  • C471 - Enzyme Inhibitor
  • C47792 - Acetylcholinesterase Inhibitor|D004791 - Enzyme Inhibitors|D010575 - Pesticides
  • D007306 - Insecticides|D016573 - Agrochemicals|D018377 - Neurotransmitter Agents
  • D018678 - Cholinergic Agents
  • D002800 - Cholinesterase Inhibitors
  • 2 pairs of Verified P450 and Propoxur


    Insect Gene Symbol Validation Reference
    Helicoverpa assulta CYP6B6 E
    Musca domestica CYP6G4 D,X