(3-Phenoxyphenyl)methanol
| PubChem CID | 26295 |
| Molecular Formula | C13H12O2 |
| Structure |
|
| Synonyms |
3-Phenoxybenzyl alcohol
(3-Phenoxyphenyl)methanol 13826-35-2 3-Phenoxybenzylalcohol m-Phenoxybenzyl alcohol Benzenemethanol, 3-phenoxy- 3-Phenoxybenzenemethanol 3-(Hydroxymethyl)diphenyl ether BENZYL ALCOHOL, m-PHENOXY- (3-phenoxy-phenyl)-methanol 1-hydroxymethyl-3-phenoxybenzene 3-PBOH DTXSID7027756 CHEBI:62527 MFCD00004636 04964J25DQ DTXCID007756 3-Phenoxybenzylic alcohol CAS-13826-35-2 EINECS 237-525-1 Permethrin EP Impurity C BRN 0475312 mPB-alcohol UNII-04964J25DQ m-Phenoxybenzalcohol 4eh7 3-phenoxyphenyl methanol m-phenoxy-benzyl alcohol 3-Phenoxylbenzyl alcohol 3-phenoxy-benzyl alcohol [3-(phenoxy)phenyl]methanol 3-06-00-04545 (Beilstein Handbook Reference) SCHEMBL358425 (3-(phenyloxy)phenyl)methanol 3-Phenoxybenzyl alcohol, 98% CHEMBL1869836 DAlc2-H_000047 KGANAERDZBAECK-UHFFFAOYSA- PHENOXYBENZYL ALCOHOL, 3- AMY31482 BCP31635 Tox21_201473 Tox21_303571 CK2463 AKOS000249474 CS-W015614 PS-4045 NCGC00164079-01 NCGC00164079-02 NCGC00257439-01 NCGC00259024-01 AC-10911 SY036130 DB-042421 NS00000278 P0979 C19800 EN300-1868884 3-Phenoxybenzyl alcohol, purum, >=97.5% (GC) 3-Phenoxybenzyl alcohol;(3-Phenoxyphenyl)methanol A807364 J-007112 J-513024 Q18409953 0OO InChI=1/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2 |
Computed Descriptors
| IUPAC Name | (3-phenoxyphenyl)methanol |
| SMILES | C1=CC=C(C=C1)OC2=CC=CC(=C2)CO |
| Canonical SMILES | C1=CC=C(C=C1)OC2=CC=CC(=C2)CO |
| InChI | InChI=1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2 |
| InChIKey | KGANAERDZBAECK-UHFFFAOYSA-N |
Computed Properties
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| Molecular Weight | 200.23 g/mol |
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 200.084 |
| Monoisotopic Mass | 200.084 |
| Topological Polar Surface Area | 29.5 |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 175 |
| 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 |
2 pairs of Verified P450 and (3-Phenoxyphenyl)methanol
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Culex quinquefasciatus | CYP6AA7 | X | |
| Culex quinquefasciatus | CYP9M10 | X |