4a(2)-Methoxy[1,1a(2)-biphenyl]-4-butanoic acid
Basic information
- CAS
857780-01-9- Standard SMILES
COc1ccc(-c2ccc(CCCC(=O)O)cc2)cc1- InChIKey
NRQBMVOZIUETNH-UHFFFAOYSA-N- Molecular formula
- C17H18O3
- Average molar mass
- 270.32 g/mol
- Monoisotopic mass
- 270.12559443
Names & identifiers
- Preferred name
- 4a(2)-Methoxy[1,1a(2)-biphenyl]-4-butanoic acid
- IUPAC
- 4-[4-(4-methoxyphenyl)phenyl]butanoic acid
Names & synonyms
DTXSID401273339AKOS004116387857780-01-94-(4'-Methoxy[1,1'-biphenyl]-4-yl)butanoic acid4a(2)-Methoxy[1,1a(2)-biphenyl]-4-butanoic acid
Database identifiers
- CAS
857780-01-9- PubChem CID
- 23005252
- DTXSID
DTXSID401273339
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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