Molecular Identity
3'-Hydroxyphenylacetic acid
2-(3-hydroxyphenyl)acetic acid
PubChem CID: 12122
3-hydroxyphenylacetic acid is a monocarboxylic acid that is phenylacetic acid in which the hydrogen at position 3 on the benzene ring is replaced by a hydroxy group. It has a role as a human xenobiotic metabolite. It is a monocarboxylic acid and a member of phenols. It is functionally related to an acetic acid. It is a conjugate acid of a 3-hydroxyphenylacetate.
2D Structure
Properties
C8H8O3
Molecular Formula
152.15
Molecular Weight
g/mol
152.0473
Exact Mass
Da
0.9
XLogP
Drug-like (Lipinski: < 5)
57.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
144
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC(=C1)O)CC(=O)OIsomeric SMILES
SMILES: C1=CC(=CC(=C1)O)CC(=O)OSynonyms(20)
3-Hydroxyphenylacetic acid621-37-42-(3-hydroxyphenyl)acetic acid(3-Hydroxyphenyl)acetic acid3-Hydroxybenzeneacetic acid(m-Hydroxyphenyl)acetic acidBenzeneacetic acid, 3-hydroxy-Acetic acid, (m-hydroxyphenyl)-K59Z6Z8REFCHEBI:17445DTXSID90211148NSC-14360HMDB004403'-HYDROXYPHENYLACETIC ACIDmeta-hydroxyphenylacetic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 3'-Hydroxyphenylacetic acid
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