4-(2,3-dimethylphenyl)-3,4-dihydroxybutanoic acid

C12H16O4 — CID 171877230

IUPAC4-(2,3-dimethylphenyl)-3,4-dihydroxybutanoic acid
SMILESCc1cccc(C(O)C(O)CC(=O)O)c1C
InChIInChI=1S/C12H16O4/c1-7-4-3-5-9(8(7)2)12(16)10(13)6-11(14)15/h3-5,10,12-13,16H,6H2,1-2H3,(H,14,15)
InChIKeyLCJVJSTUZSWEOO-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.17
Rot. Bonds4

About 4-(2,3-dimethylphenyl)-3,4-dihydroxybutanoic acid

4-(2,3-dimethylphenyl)-3,4-dihydroxybutanoic acid (PubChem CID 171877230) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-3,4-dihydroxybutanoic acid.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-3,4-dihydroxybutanoic acid
PubChem CID171877230
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name4-(2,3-dimethylphenyl)-3,4-dihydroxybutanoic acid
SMILESCc1cccc(C(O)C(O)CC(=O)O)c1C
InChIInChI=1S/C12H16O4/c1-7-4-3-5-9(8(7)2)12(16)10(13)6-11(14)15/h3-5,10,12-13,16H,6H2,1-2H3,(H,14,15)
InChIKeyLCJVJSTUZSWEOO-UHFFFAOYSA-N
XLogP1.17
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(2,3-dimethylphenyl)-3,4-dihydroxybutanoic 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

4-(2-chloro-3-methylphenyl)-3,4-dihydroxybutanoic acid
CID 171877208
4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171898729
2-(2,3-dimethylphenyl)butanedioic acid
CID 70454411
4-(2,3-difluorophenyl)-3,4-dihydroxybutanoic acid
CID 171877250
2-[(2,3-dimethylphenyl)-hydroxymethyl]-3-methylbutanoic acid
CID 62396265
1-(2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 22486887
3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butanoic acid
CID 171877297
(3S)-3-acetamido-3-(2,3-dimethylphenyl)propanoic acid
CID 78947603
4-(2-amino-3-methylphenyl)-3,4-dihydroxybutanamide
CID 171898907
1-(2,3-dimethylphenyl)-2-methylbutan-1-ol
CID 63719064
4-(2-ethenylphenyl)-3,4-dihydroxybutanoic acid
CID 171877228
3,4-dihydroxy-4-(2-methyl-6-nitrophenyl)butanoic acid
CID 171878151

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-3,4-dihydroxybutanoic acid?
The IUPAC name of 4-(2,3-dimethylphenyl)-3,4-dihydroxybutanoic acid (CID 171877230) is 4-(2,3-dimethylphenyl)-3,4-dihydroxybutanoic acid.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-3,4-dihydroxybutanoic acid?
The canonical SMILES for 4-(2,3-dimethylphenyl)-3,4-dihydroxybutanoic acid is Cc1cccc(C(O)C(O)CC(=O)O)c1C.
What is the InChIKey of 4-(2,3-dimethylphenyl)-3,4-dihydroxybutanoic acid?
The InChIKey is LCJVJSTUZSWEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-7-4-3-5-9(8(7)2)12(16)10(13)6-11(14)15/h3-5,10,12-13,16H,6H2,1-2H3,(H,14,15).
What are the key properties of 4-(2,3-dimethylphenyl)-3,4-dihydroxybutanoic acid?
4-(2,3-dimethylphenyl)-3,4-dihydroxybutanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)-3,4-dihydroxybutanoic acid is sourced from PubChem (CID 171877230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).