2-[2-(dihydroxymethyl)phenyl]acetic acid

C9H10O4 — CID 178118262

IUPAC2-[2-(dihydroxymethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1C(O)O
InChIInChI=1S/C9H10O4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4,9,12-13H,5H2,(H,10,11)
InChIKeyYPVIFWWMHYREOL-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.30
Rot. Bonds3

About 2-[2-(dihydroxymethyl)phenyl]acetic acid

2-[2-(dihydroxymethyl)phenyl]acetic acid (PubChem CID 178118262) has the molecular formula C9H10O4 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-[2-(dihydroxymethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(dihydroxymethyl)phenyl]acetic acid
PubChem CID178118262
Molecular FormulaC9H10O4
Molecular Weight182.18 g/mol
Exact Mass182.06
IUPAC Name2-[2-(dihydroxymethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1C(O)O
InChIInChI=1S/C9H10O4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4,9,12-13H,5H2,(H,10,11)
InChIKeyYPVIFWWMHYREOL-UHFFFAOYSA-N
XLogP0.30
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[2-(dihydroxymethyl)phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 172781001
CID 172781001
CID 172781038
CID 172781038
2-(2-propan-2-ylphenyl)acetic acid;hydrochloride
CID 70396456
2-[2-(1-hydroxy-3-methylbutyl)phenyl]acetic acid
CID 105479177
2-[2-(1-chloro-2-oxopropyl)phenyl]acetic acid
CID 131474693
2-[2-[(1R)-1,2-diaminoethyl]phenyl]acetic acid
CID 66516484
2-[2-(2-hydroxypropyl)phenyl]acetic acid
CID 117111520
2-[2-(1,2-dihydroxy-4-sulfanylbutyl)phenyl]acetic acid
CID 171874401
2-[2-(carboxymethyl)phenyl]-3,3,3-trifluoropropanoic acid
CID 161438422
2-[2-(2-amino-2-oxoethyl)phenyl]acetic acid
CID 91115166
azane;2-(2-ethylphenyl)acetic acid
CID 70384426
2-[2-[cyano(phenyl)methyl]phenyl]acetic acid
CID 70495221

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dihydroxymethyl)phenyl]acetic acid?
The IUPAC name of 2-[2-(dihydroxymethyl)phenyl]acetic acid (CID 178118262) is 2-[2-(dihydroxymethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(dihydroxymethyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(dihydroxymethyl)phenyl]acetic acid is O=C(O)Cc1ccccc1C(O)O.
What is the InChIKey of 2-[2-(dihydroxymethyl)phenyl]acetic acid?
The InChIKey is YPVIFWWMHYREOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4,9,12-13H,5H2,(H,10,11).
What are the key properties of 2-[2-(dihydroxymethyl)phenyl]acetic acid?
2-[2-(dihydroxymethyl)phenyl]acetic acid has a molecular weight of 182.18 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dihydroxymethyl)phenyl]acetic acid is sourced from PubChem (CID 178118262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).