3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid

C12H16O4 — CID 82366763

IUPAC3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid
SMILESCOc1cc(C)c(C(O)CC(=O)O)cc1C
InChIInChI=1S/C12H16O4/c1-7-5-11(16-3)8(2)4-9(7)10(13)6-12(14)15/h4-5,10,13H,6H2,1-3H3,(H,14,15)
InChIKeyOGYNMTBUYUSIJD-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.82
Rot. Bonds4

About 3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid

3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid (PubChem CID 82366763) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid
PubChem CID82366763
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid
SMILESCOc1cc(C)c(C(O)CC(=O)O)cc1C
InChIInChI=1S/C12H16O4/c1-7-5-11(16-3)8(2)4-9(7)10(13)6-12(14)15/h4-5,10,13H,6H2,1-3H3,(H,14,15)
InChIKeyOGYNMTBUYUSIJD-UHFFFAOYSA-N
XLogP1.82
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic 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

1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol
CID 113370104
3-amino-4-hydroxy-4-(2-methoxy-4,5-dimethylphenyl)butanoic acid
CID 82350007
3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide
CID 116850930
3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 82366721
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 93182220
ethyl 2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoate
CID 171866438
2-(4-methoxy-2,5-dimethylphenyl)-4-methylpentanoic acid
CID 82087442
2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid
CID 23558595
2-(1,3-dioxolan-2-yl)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 103547609
3-amino-3-(4-methoxy-2,5-dimethylphenyl)-N,N-dimethylpropanamide
CID 116850294
3-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol
CID 112510132
(3S)-3-hydroxy-3-(3-hydroxy-4-methoxyphenyl)propanoic acid
CID 94425310

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid?
The IUPAC name of 3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid (CID 82366763) is 3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid.
What is the SMILES notation for 3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid?
The canonical SMILES for 3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid is COc1cc(C)c(C(O)CC(=O)O)cc1C.
What is the InChIKey of 3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid?
The InChIKey is OGYNMTBUYUSIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-7-5-11(16-3)8(2)4-9(7)10(13)6-12(14)15/h4-5,10,13H,6H2,1-3H3,(H,14,15).
What are the key properties of 3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid?
3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid is sourced from PubChem (CID 82366763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).