3-(4-hydroxy-3-methoxy-5-methylphenyl)propanoic acid

C11H14O4 — CID 117300165

IUPAC3-(4-hydroxy-3-methoxy-5-methylphenyl)propanoic acid
SMILESCOc1cc(CCC(=O)O)cc(C)c1O
InChIInChI=1S/C11H14O4/c1-7-5-8(3-4-10(12)13)6-9(15-2)11(7)14/h5-6,14H,3-4H2,1-2H3,(H,12,13)
InChIKeyMXYMLGKWYHBLSM-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.73
Rot. Bonds4

About 3-(4-hydroxy-3-methoxy-5-methylphenyl)propanoic acid

3-(4-hydroxy-3-methoxy-5-methylphenyl)propanoic acid (PubChem CID 117300165) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(4-hydroxy-3-methoxy-5-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-hydroxy-3-methoxy-5-methylphenyl)propanoic acid
PubChem CID117300165
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name3-(4-hydroxy-3-methoxy-5-methylphenyl)propanoic acid
SMILESCOc1cc(CCC(=O)O)cc(C)c1O
InChIInChI=1S/C11H14O4/c1-7-5-8(3-4-10(12)13)6-9(15-2)11(7)14/h5-6,14H,3-4H2,1-2H3,(H,12,13)
InChIKeyMXYMLGKWYHBLSM-UHFFFAOYSA-N
XLogP1.73
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-(4-hydroxy-3,5-dimethylphenyl)propanoic acid
CID 144504832
3-(4-bromo-3,5-dimethylphenyl)propanoic acid
CID 84805494
2-(3,4-dimethoxy-5-methylphenyl)acetic acid
CID 70527445
4-(3-chloro-4-hydroxy-5-methoxyphenyl)butan-2-one
CID 82184694
4-(2-bromo-6-hydroxy-5-methoxy-3-methylphenyl)butanoic acid
CID 117488061
3-(4-ethyl-3,5-dimethylphenyl)propanoic acid;yttrium
CID 59858101
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
3-[4-(carboxymethoxy)-3-methoxyphenyl]propanoic acid
CID 121016138
3-(3-fluoro-4,5-dimethylphenyl)propanoic acid
CID 84773946
3-[3-(2-carboxyethyl)-5-[(2-methoxyphenyl)methyl]phenyl]propanoic acid
CID 67636560
4-(diethoxyphosphorylmethyl)-2-methoxy-6-methylphenol
CID 57349790
4-(3-bromo-4-hydroxy-5-methylphenyl)butanoic acid
CID 117435012

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-methoxy-5-methylphenyl)propanoic acid?
The IUPAC name of 3-(4-hydroxy-3-methoxy-5-methylphenyl)propanoic acid (CID 117300165) is 3-(4-hydroxy-3-methoxy-5-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(4-hydroxy-3-methoxy-5-methylphenyl)propanoic acid?
The canonical SMILES for 3-(4-hydroxy-3-methoxy-5-methylphenyl)propanoic acid is COc1cc(CCC(=O)O)cc(C)c1O.
What is the InChIKey of 3-(4-hydroxy-3-methoxy-5-methylphenyl)propanoic acid?
The InChIKey is MXYMLGKWYHBLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-7-5-8(3-4-10(12)13)6-9(15-2)11(7)14/h5-6,14H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 3-(4-hydroxy-3-methoxy-5-methylphenyl)propanoic acid?
3-(4-hydroxy-3-methoxy-5-methylphenyl)propanoic acid has a molecular weight of 210.23 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-methoxy-5-methylphenyl)propanoic acid is sourced from PubChem (CID 117300165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).