Basic information
- CAS
51498-07-8- Standard SMILES
CC(C(=O)O)c1cccc(-c2ccccc2)c1- InChIKey
OQMCVCHIWJWEHF-UHFFFAOYSA-N- Molecular formula
- C15H14O2
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.09937969
Names & identifiers
- Preferred name
- 3-Biphenylacetic acid, alpha-methyl-
- IUPAC
- 2-(3-phenylphenyl)propanoic acid
- English name
- alpha-Methyl-3-biphenylacetic acid
- Molecular formula
- C15H14O2
- Molecular weight
- 226.27
Names & synonyms
51498-07-8alpha-Methyl-3-biphenylacetic acidBRN 50078393-BIPHENYLACETIC ACID, alpha-METHYL-RefChem:2771242-([1,1'-Biphenyl]-3-yl)propanoic acid2-(3-Biphenylyl)propanoic AcidCHEMBL142609SCHEMBL12479697SCHEMBL27403095SCHEMBL31261540DTXSID00965827
Show more names
[1,1'-Biphenyl]-3-acetic acid, α-methyl-
MFCD01740453SY403695A1-115852
Database identifiers
- CAS
51498-07-8- PubChem CID
- 40045
- DTXSID
DTXSID00965827- ChEMBL
CHEMBL142609- Nikkaji
- J79.008G
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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