(1,1'-Biphenyl)-3-acetic acid, 4'-chloro-5-hydroxy-, methyl ester
Basic information
- CAS
53136-99-5- Standard SMILES
COC(=O)Cc1cc(O)cc(-c2ccc(Cl)cc2)c1- InChIKey
DRLBNNRXEOWAIV-UHFFFAOYSA-N- Molecular formula
- C15H13ClO3
- Average molar mass
- 276.71 g/mol
- Monoisotopic mass
- 276.055322
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-3-acetic acid, 4'-chloro-5-hydroxy-, methyl ester
- IUPAC
- methyl 2-[3-(4-chlorophenyl)-5-hydroxyphenyl]acetate
- English name
- 4'-Chloro-5-hydroxy-(1,1'-biphenyl)-3-acetic acid methyl ester
- Molecular formula
- C15H13ClO3
- Molecular weight
- 276.71
Names & synonyms
53136-99-5BRN 2217176(1,1'-Biphenyl)-3-acetic acid, 4'-chloro-5-hydroxy-, methyl esterMethyl 4'-chloro-5-hydroxy-(1,1'-biphenyl)-3-acetateMethyl 4'-chloro-5-hydroxy-3-biphenylylacetate4'-Chloro-5-hydroxy-(1,1'-biphenyl)-3-acetic acid methyl esterDTXSID90201221RefChem:203947DTXCID90123712CHEMBL3244508DB-305745Methyl (4'-chloro-5-hydroxy[1,1'-biphenyl]-3-yl)acetate
Show more names
[1,1'-Biphenyl]-3-acetic acid, 4'-chloro-5-hydroxy-, methyl ester
Database identifiers
- CAS
53136-99-5- PubChem CID
- 3040945
- DTXSID
DTXSID90201221- ChEMBL
CHEMBL3244508
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 300
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Compound notes
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