(2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)acetic acid

C10H12O5 — CID 67997136

IUPAC(2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)acetic acid
SMILESCOc1cc([C@@H](O)C(=O)O)cc(C)c1O
InChIInChI=1S/C10H12O5/c1-5-3-6(9(12)10(13)14)4-7(15-2)8(5)11/h3-4,9,11-12H,1-2H3,(H,13,14)/t9-/m1/s1
InChIKeyJSQMVIWCOVENBB-SECBINFHSA-N
MW212.20 g/mol
LogP0.83
Rot. Bonds3

About (2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)acetic acid

(2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)acetic acid (PubChem CID 67997136) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)acetic acid
PubChem CID67997136
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name(2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)acetic acid
SMILESCOc1cc([C@@H](O)C(=O)O)cc(C)c1O
InChIInChI=1S/C10H12O5/c1-5-3-6(9(12)10(13)14)4-7(15-2)8(5)11/h3-4,9,11-12H,1-2H3,(H,13,14)/t9-/m1/s1
InChIKeyJSQMVIWCOVENBB-SECBINFHSA-N
XLogP0.83
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)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

5-[carboxy(hydroxy)methyl]-2-hydroxy-3-methoxybenzoic acid
CID 117356941
2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117325097
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
CID 736173
(2R)-2-(3-bromo-4,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 66728449
(1R)-1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-one
CID 163006112
2-(3,4-dimethoxy-5-methylsulfanylphenyl)-2-hydroxyacetic acid
CID 117399290
4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-6-methylphenol
CID 117301901
2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 22346233
(2S)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
CID 66513064
(2R)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
CID 124634776
2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117409617
2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid
CID 23558595

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)acetic acid?
The IUPAC name of (2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)acetic acid (CID 67997136) is (2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)acetic acid.
What is the SMILES notation for (2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)acetic acid?
The canonical SMILES for (2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)acetic acid is COc1cc([C@@H](O)C(=O)O)cc(C)c1O.
What is the InChIKey of (2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)acetic acid?
The InChIKey is JSQMVIWCOVENBB-SECBINFHSA-N. The full InChI is InChI=1S/C10H12O5/c1-5-3-6(9(12)10(13)14)4-7(15-2)8(5)11/h3-4,9,11-12H,1-2H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)acetic acid?
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)acetic acid has a molecular weight of 212.20 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)acetic acid is sourced from PubChem (CID 67997136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).