3-Phenoxybenzaldehyde
| PubChem CID | 38284 |
| Molecular Formula | C13H10O2 |
| Structure |
|
| Synonyms |
3-PHENOXYBENZALDEHYDE
39515-51-0 m-Phenoxybenzaldehyde 3-Phenoxy-benzaldehyde Benzaldehyde, 3-phenoxy- 3-Formyldiphenyl Ether m-(Phenyloxy)benzaldehyde 5-phenoxybenzaldehyde DTXSID3028005 MFCD00003353 2ZI2173196 DTXCID808005 CAS-39515-51-0 3-phenoxy benzaldehyde EINECS 254-487-1 Permethrin EP Impurity D BRN 0511662 UNII-2ZI2173196 Benzaldehyde, 3-phenoxy-; 3-Phenoxybenzaldehyde; 5-Phenoxybenzaldehyde; m-(Phenyloxy)benzaldehyde; m-Phenoxybenzaldehyde; m-Phenoxybenzaldehyde m-phenoxy-benzaldehyde meta-phenoxybenzaldehyde 3-(phenoxy)benzaldehyde meta-phenoxy-benzaldehyde EC 254-487-1 SCHEMBL98478 3-Phenoxybenzaldehyde, 98% 4-08-00-00242 (Beilstein Handbook Reference) CHEMBL22531 PHENOXYBENZALDEHYDE, 3- MRLGCTNJRREZHZ-UHFFFAOYSA- BCP31636 HY-Y0641 Tox21_202368 Tox21_303348 STL363252 AKOS000268561 DS-0482 NCGC00164346-01 NCGC00164346-02 NCGC00257412-01 NCGC00259917-01 AC-10909 BP-12723 DB-003430 AM20061089 CS-0015401 NS00007303 P0960 EN300-20017 A824597 J-513023 Q27255858 Z104476426 3-Phenoxybenzaldehyde;3-Phenoxy-benzaldehyde;m-Phenoxybenzaldehyde InChI=1/C13H10O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-10H |
Computed Descriptors
| IUPAC Name | 3-phenoxybenzaldehyde |
| SMILES | C1=CC=C(C=C1)OC2=CC=CC(=C2)C=O |
| Canonical SMILES | C1=CC=C(C=C1)OC2=CC=CC(=C2)C=O |
| InChI | InChI=1S/C13H10O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-10H |
| InChIKey | MRLGCTNJRREZHZ-UHFFFAOYSA-N |
Computed Properties
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| Molecular Weight | 198.22 g/mol |
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 198.068 |
| Monoisotopic Mass | 198.068 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 197 |
| 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 |
1 pairs of Verified P450 and 3-Phenoxybenzaldehyde
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Culex quinquefasciatus | CYP9M10 | X |