2-(2-hydroxy-4-methoxy-5-methylphenyl)propanoic acid

C11H14O4 — CID 117300178

IUPAC2-(2-hydroxy-4-methoxy-5-methylphenyl)propanoic acid
SMILESCOc1cc(O)c(C(C)C(=O)O)cc1C
InChIInChI=1S/C11H14O4/c1-6-4-8(7(2)11(13)14)9(12)5-10(6)15-3/h4-5,7,12H,1-3H3,(H,13,14)
InChIKeyJGHYGSRLHLVQKD-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.90
Rot. Bonds3

About 2-(2-hydroxy-4-methoxy-5-methylphenyl)propanoic acid

2-(2-hydroxy-4-methoxy-5-methylphenyl)propanoic acid (PubChem CID 117300178) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(2-hydroxy-4-methoxy-5-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-hydroxy-4-methoxy-5-methylphenyl)propanoic acid
PubChem CID117300178
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-(2-hydroxy-4-methoxy-5-methylphenyl)propanoic acid
SMILESCOc1cc(O)c(C(C)C(=O)O)cc1C
InChIInChI=1S/C11H14O4/c1-6-4-8(7(2)11(13)14)9(12)5-10(6)15-3/h4-5,7,12H,1-3H3,(H,13,14)
InChIKeyJGHYGSRLHLVQKD-UHFFFAOYSA-N
XLogP1.90
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethyl-2-hydroxy-4-methoxyphenyl)propanoic acid
CID 84789679
2-(2-hydroxy-4-methoxy-5-methoxycarbonylphenyl)propanoic acid
CID 117388428
2-(2,5-dihydroxy-4-methylphenyl)propanoic acid
CID 23177136
2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid
CID 23558595
2-(2-fluoro-5-hydroxy-4-methoxyphenyl)propanoic acid
CID 117305117
(2R)-2-(3-methoxy-4-methylphenyl)propanoic acid
CID 118199604
3-amino-3-(4-methoxy-2,5-dimethylphenyl)-2-methylpropanoic acid
CID 116938026
1-(2,4-dimethoxy-5-methylphenyl)ethanol
CID 84666953
2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
CID 83839387
2-(5-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 117305116
2-(4-methoxy-2,5-dimethylphenyl)-4-methylpentanoic acid
CID 82087442
3-(2-hydroxy-5-methoxy-4-methylphenyl)-2-methylpropanoic acid
CID 117321917

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-4-methoxy-5-methylphenyl)propanoic acid?
The IUPAC name of 2-(2-hydroxy-4-methoxy-5-methylphenyl)propanoic acid (CID 117300178) is 2-(2-hydroxy-4-methoxy-5-methylphenyl)propanoic acid.
What is the SMILES notation for 2-(2-hydroxy-4-methoxy-5-methylphenyl)propanoic acid?
The canonical SMILES for 2-(2-hydroxy-4-methoxy-5-methylphenyl)propanoic acid is COc1cc(O)c(C(C)C(=O)O)cc1C.
What is the InChIKey of 2-(2-hydroxy-4-methoxy-5-methylphenyl)propanoic acid?
The InChIKey is JGHYGSRLHLVQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-6-4-8(7(2)11(13)14)9(12)5-10(6)15-3/h4-5,7,12H,1-3H3,(H,13,14).
What are the key properties of 2-(2-hydroxy-4-methoxy-5-methylphenyl)propanoic acid?
2-(2-hydroxy-4-methoxy-5-methylphenyl)propanoic acid has a molecular weight of 210.23 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-4-methoxy-5-methylphenyl)propanoic acid is sourced from PubChem (CID 117300178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).