(1,1'-Biphenyl)-2-carboxaldehyde
PubChem CID: 121052
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| Compound Synonyms | 2-Phenylbenzaldehyde, 1203-68-5, 2-Biphenylcarboxaldehyde, Biphenyl-2-carboxaldehyde, Biphenyl-2-carbaldehyde, [1,1'-biphenyl]-2-carbaldehyde, Biphenylcarboxaldehyde, 2-Difenilaldeide, 2-formyl-1,1'-biphenyl, 2-Difenilaldeide [Italian], (1,1'-Biphenyl)-2-carboxaldehyde, MFCD01740431, BRN 2081880, (1,1'-Biphenyl)carboxaldehyde, [1,1'-Biphenyl]carboxaldehyde, [1,1'-Biphenyl]-2-carboxaldehyde, 55171-99-8, biphenylaldehyde, biphenyl aldehyde, 2-formylbiphenyl, biphenyl formaldehyde, biphenyl-2-aldehyde, 2-phenyl-benzaldehyde, biphenyl carboxaldehyde, biphenyl-2 -aldehyde, 2-FORMYL-BIPHENYL, SCHEMBL96494, CHEMBL124879, Biphenyl-2-carboxaldehyde, 96%, DTXSID80923309, AKOS005216888, CS-W002824, PS-8524, AC-18698, SY003223, DB-021493, EN300-51583, Z727783562, 627-829-6 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(C2CCCCC2)CC1 |
| Deep Smiles | O=Ccccccc6cccccc6 |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCC(C2CCCCC2)CC1 |
| Classyfire Subclass | Biphenyls and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 182.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-phenylbenzaldehyde |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H10O |
| Scaffold Graph Node Bond Level | c1ccc(-c2ccccc2)cc1 |
| Inchi Key | LCRCBXLHWTVPEQ-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2-phenylbenzaldehyde |
| Esol Class | Soluble |
| Functional Groups | cC=O |
| Compound Name | (1,1'-Biphenyl)-2-carboxaldehyde |
| Exact Mass | 182.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 182.22 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H10O/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-10H |
| Smiles | C1=CC=C(C=C1)C2=CC=CC=C2C=O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Rheum Palmatum (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279