3-Biphenylacetic acid, 4',5-dimethoxy-
Basic information
- CAS
51028-91-2- Standard SMILES
COc1ccc(-c2cc(CC(=O)O)cc(OC)c2)cc1- InChIKey
RIPSCSMJHGMYHX-UHFFFAOYSA-N- Molecular formula
- C16H16O4
- Average molar mass
- 272.29 g/mol
- Monoisotopic mass
- 272.10485899
Names & identifiers
- Preferred name
- 3-Biphenylacetic acid, 4',5-dimethoxy-
- IUPAC
- 2-[3-methoxy-5-(4-methoxyphenyl)phenyl]acetic acid
- English name
- 4',5-Dimethoxy-3-biphenylacetic acid
- Molecular formula
- C16H16O4
- Molecular weight
- 272.3
Names & synonyms
4',5-Dimethoxy-3-biphenylacetic acid51028-91-2BRN 21319583-BIPHENYLACETIC ACID, 4',5-DIMETHOXY-DTXSID10199035RefChem:277092DTXCID401215262-(4',5-Dimethoxy-[1,1'-biphenyl]-3-yl)acetic acidCHEMBL138843(4',5-Dimethoxy[1,1'-biphenyl]-3-yl)acetic acid4',5-Dimethoxy-1,1'-biphenyl-3-acetic acid[1,1'-Biphenyl]-3-acetic acid, 4',5-dimethoxy-
Database identifiers
- CAS
51028-91-2- PubChem CID
- 39877
- DTXSID
DTXSID10199035- ChEMBL
CHEMBL138843- Nikkaji
- J79.000A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Boiling point
- 445.1 · 445.1±40.0 °C(Predicted)
- Density
- 1.183 · 1.183±0.06 g/cm3(Predicted)
- pka
- 4.15 · 4.15±0.10(Predicted)
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Related reactions
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Compound notes
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