4-Phenoxybenzaldehyde
| PubChem CID | 66139 |
| Molecular Formula | C13H10O2 |
| Structure |
|
| Synonyms |
4-Phenoxybenzaldehyde
67-36-7 p-Phenoxybenzaldehyde 4-Formyldiphenyl ether Benzaldehyde, 4-phenoxy- 4-Phenoxy-benzaldehyde Benzaldehyde, p-phenoxy- 4-phenoxy benzaldehyde MFCD00003383 58H5VR8362 BRN 1947841 EINECS 200-650-7 4-(phenyloxy)benzaldehyde AI3-62192 4-Phenoxy-benzaldehyde; p-Phenoxy-benzaldehyde; 4-Formyldiphenyl Ether; 4-Phenoxybenzenecarboxaldehyde; p-Phenoxybenzaldehyde 4-phenyloxybenzaldehyde SCHEMBL97639 4-Phenoxybenzaldehyde, 98% 4-08-00-00257 (Beilstein Handbook Reference) CHEMBL1933309 DTXSID7021730 UNII-58H5VR8362 AMY8793 STR03366 4-PHENOXYBENZENECARBOXALDEHYDE AR1919 AKOS000260361 CS-W001949 PS-8240 AC-17852 SY003245 NS00022649 P1333 EN300-20594 A835723 W-104718 Q27261597 Z104479070 |
Computed Descriptors
| IUPAC Name | 4-phenoxybenzaldehyde |
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)C=O |
| Canonical SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)C=O |
| InChI | InChI=1S/C13H10O2/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-10H |
| InChIKey | QWLHJVDRPZNVBS-UHFFFAOYSA-N |
Computed Properties
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| Molecular Weight | 198.22 g/mol |
| XLogP3 | 3.2 |
| 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 | 189 |
| 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 4-Phenoxybenzaldehyde
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Culex quinquefasciatus | CYP6AA7 | X |