2-(2,5-dihydroxy-4-methylphenyl)propanoic acid

C10H12O4 — CID 23177136

IUPAC2-(2,5-dihydroxy-4-methylphenyl)propanoic acid
SMILESCc1cc(O)c(C(C)C(=O)O)cc1O
InChIInChI=1S/C10H12O4/c1-5-3-9(12)7(4-8(5)11)6(2)10(13)14/h3-4,6,11-12H,1-2H3,(H,13,14)
InChIKeyMXZRMSPXTAMXHA-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.59
Rot. Bonds2

About 2-(2,5-dihydroxy-4-methylphenyl)propanoic acid

2-(2,5-dihydroxy-4-methylphenyl)propanoic acid (PubChem CID 23177136) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-(2,5-dihydroxy-4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2,5-dihydroxy-4-methylphenyl)propanoic acid
PubChem CID23177136
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name2-(2,5-dihydroxy-4-methylphenyl)propanoic acid
SMILESCc1cc(O)c(C(C)C(=O)O)cc1O
InChIInChI=1S/C10H12O4/c1-5-3-9(12)7(4-8(5)11)6(2)10(13)14/h3-4,6,11-12H,1-2H3,(H,13,14)
InChIKeyMXZRMSPXTAMXHA-UHFFFAOYSA-N
XLogP1.59
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxy-4-methoxy-5-methylphenyl)propanoic acid
CID 117300178
2-(5-hydroxy-2,3,4-trimethylphenyl)propanoic acid
CID 121015128
dipotassium;2-(2-hydroxy-4-methylphenyl)propanoic acid;sulfate
CID 70514513
2-(3-bromo-2-hydroxy-5-methylphenyl)propanoic acid
CID 83901747
2-(2-chloro-3-hydroxy-5-methylphenyl)propanoic acid
CID 117305876
2-(5-ethyl-2-hydroxy-4-methoxyphenyl)propanoic acid
CID 84789679
2-(2,5-difluoro-4-hydroxyphenyl)propanoic acid
CID 117290622
2-(2-hydroxy-3,4-dimethylphenyl)propanoic acid
CID 83878748
2-(2-hydroxy-4-methoxy-5-methoxycarbonylphenyl)propanoic acid
CID 117388428
2-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid
CID 117340668
2-(5-iodo-2-methylphenyl)propanoic acid
CID 57419648
2-(4-iodo-2-methylphenyl)propanoic acid
CID 131284979

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydroxy-4-methylphenyl)propanoic acid?
The IUPAC name of 2-(2,5-dihydroxy-4-methylphenyl)propanoic acid (CID 23177136) is 2-(2,5-dihydroxy-4-methylphenyl)propanoic acid.
What is the SMILES notation for 2-(2,5-dihydroxy-4-methylphenyl)propanoic acid?
The canonical SMILES for 2-(2,5-dihydroxy-4-methylphenyl)propanoic acid is Cc1cc(O)c(C(C)C(=O)O)cc1O.
What is the InChIKey of 2-(2,5-dihydroxy-4-methylphenyl)propanoic acid?
The InChIKey is MXZRMSPXTAMXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-5-3-9(12)7(4-8(5)11)6(2)10(13)14/h3-4,6,11-12H,1-2H3,(H,13,14).
What are the key properties of 2-(2,5-dihydroxy-4-methylphenyl)propanoic acid?
2-(2,5-dihydroxy-4-methylphenyl)propanoic acid has a molecular weight of 196.20 g/mol, XLogP of 1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydroxy-4-methylphenyl)propanoic acid is sourced from PubChem (CID 23177136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).