3-Benzyloxy-4-hydroxyphenylacetic acid

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Basic information

CAS: 147498-89-3
Standard SMILES: O=C(O)Cc1ccc(O)c(OCc2ccccc2)c1
InChIKey: HOMJYFKVPQYKGH-UHFFFAOYSA-N
Molecular formula: C15H14O4
Average molar mass: 258.27 g/mol
Monoisotopic mass: 258.08920893

Names & identifiers

Preferred name: 3-Benzyloxy-4-hydroxyphenylacetic acid
IUPAC: 2-(4-hydroxy-3-phenylmethoxyphenyl)acetic acid

Names & synonyms

3-benzyloxy-4-hydroxyphenylacetic acidSCHEMBL8603284HOMJYFKVPQYKGH-UHFFFAOYSA-NDTXSID601251606147498-89-3[3-(Benzyloxy)-4-hydroxyphenyl]acetic acid4-Hydroxy-3-(phenylmethoxy)benzeneacetic acid

Database identifiers

CAS: 147498-89-3
PubChem CID: 19797643
DTXSID: DTXSID601251606

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 66.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 286

Related reactions

2 records

New reaction record

HRID 5029As productuspto-grants-1993_09

HRID 170741As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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