3-(4-Ethoxy-2-methylphenyl)-5-hydroxybenzoic acid

HCID 53227147

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Basic information

CAS: 1261924-76-8
Standard SMILES: CCOc1ccc(-c2cc(O)cc(C(=O)O)c2)c(C)c1
InChIKey: WERSPISJNVSGIV-UHFFFAOYSA-N
Molecular formula: C16H16O4
Average molar mass: 272.29 g/mol
Monoisotopic mass: 272.10485899

Names & identifiers

Preferred name: 3-(4-Ethoxy-2-methylphenyl)-5-hydroxybenzoic acid
IUPAC: 3-(4-ethoxy-2-methylphenyl)-5-hydroxybenzoic acid

Names & synonyms

1261924-76-83-(4-ETHOXY-2-METHYLPHENYL)-5-HYDROXYBENZOIC ACIDMFCD18321256DTXSID106907343-(4-ethoxy-2-methyl-phenyl)-5-hydroxy-benzoic acid3-(4-Ethoxy-2-methylphenyl)-5-hydroxybenzoic acid, 95%4'-Ethoxy-5-hydroxy-2'-methyl[1,1'-biphenyl]-3-carboxylic acid

Database identifiers

CAS: 1261924-76-8
PubChem CID: 53227147
DTXSID: DTXSID10690734

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 66.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 330

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