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3-Biphenylacetic acid, 5-methoxy-

HCID 39870
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
51028-83-2
Standard SMILES
COc1cc(CC(=O)O)cc(-c2ccccc2)c1
InChIKey
RNTIGDWQNJQAKZ-UHFFFAOYSA-N
Molecular formula
C15H14O3
Average molar mass
242.27 g/mol
Monoisotopic mass
242.0942943

Names & identifiers

Preferred name
3-Biphenylacetic acid, 5-methoxy-
IUPAC
2-(3-methoxy-5-phenylphenyl)acetic acid
English name
5-Methoxy-3-biphenylacetic acid
Molecular formula
C15H14O3
Molecular weight
242.27

Names & synonyms

51028-83-23-BIPHENYLACETIC ACID, 5-METHOXY-5-Methoxy-3-biphenylacetic acidBRN 2116264DTXSID40199028RefChem:277120DTXCID701215192-(5-Methoxy-[1,1'-biphenyl]-3-yl)acetic acid[1,1'-Biphenyl]-3-aceticacid, 5-methoxy-CHEMBL139046(5-Methoxy[1,1'-biphenyl]-3-yl)acetic acid5-Methoxy-1,1'-biphenyl-3-acetic acid
Show more names
5-Methoxy[1,1'-biphenyl]-3-acetic acid[1,1'-Biphenyl]-3-acetic acid, 5-methoxy-

Database identifiers

CAS
51028-83-2
PubChem CID
39870
DTXSID
DTXSID40199028
ChEMBL
CHEMBL139046
Nikkaji
J79.005B

Properties

Computed structural properties

XLogP
3
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
271

Related reactions

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Compound notes

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