3-Biphenylacetic acid, 5-pentoxy-

HCID 43837

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Basic information

CAS: 61888-59-3
Standard SMILES: CCCCCOc1cc(CC(=O)O)cc(-c2ccccc2)c1
InChIKey: JNVPAMIKBRLTNU-UHFFFAOYSA-N
Molecular formula: C19H22O3
Average molar mass: 298.4 g/mol
Monoisotopic mass: 298.15689456

Names & identifiers

Preferred name: 3-Biphenylacetic acid, 5-pentoxy-
IUPAC: 2-(3-pentoxy-5-phenylphenyl)acetic acid
English name: 5-Pentoxy-3-biphenylacetic acid
Molecular formula: C19H22O3
Molecular weight: 298.38

Names & synonyms

5-Pentoxy-3-biphenylacetic acid3-BIPHENYLACETIC ACID, 5-PENTOXY-61888-59-3BRN 2134829DTXSID00210884RefChem:277122DTXCID30133375CHEMBL3244535DB-317782[5-(Pentyloxy)[1,1'-biphenyl]-3-yl]acetic acid5-(Pentyloxy)-1,1'-biphenyl-3-acetic acid[1,1'-Biphenyl]-3-acetic acid, 5-(pentyloxy)-

Database identifiers

CAS: 61888-59-3
PubChem CID: 43837
DTXSID: DTXSID00210884
ChEMBL: CHEMBL3244535
Nikkaji: J79.010I

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 22
Formal charge: 0
Complexity: 323

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