3-(2-hydroxy-3-methoxy-4-methylphenyl)-2-methylpropanoic acid

C12H16O4 — CID 84689070

IUPAC3-(2-hydroxy-3-methoxy-4-methylphenyl)-2-methylpropanoic acid
SMILESCOc1c(C)ccc(CC(C)C(=O)O)c1O
InChIInChI=1S/C12H16O4/c1-7-4-5-9(6-8(2)12(14)15)10(13)11(7)16-3/h4-5,8,13H,6H2,1-3H3,(H,14,15)
InChIKeyRTASOBZXAUJDRQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.97
Rot. Bonds4

About 3-(2-hydroxy-3-methoxy-4-methylphenyl)-2-methylpropanoic acid

3-(2-hydroxy-3-methoxy-4-methylphenyl)-2-methylpropanoic acid (PubChem CID 84689070) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(2-hydroxy-3-methoxy-4-methylphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-hydroxy-3-methoxy-4-methylphenyl)-2-methylpropanoic acid
PubChem CID84689070
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name3-(2-hydroxy-3-methoxy-4-methylphenyl)-2-methylpropanoic acid
SMILESCOc1c(C)ccc(CC(C)C(=O)O)c1O
InChIInChI=1S/C12H16O4/c1-7-4-5-9(6-8(2)12(14)15)10(13)11(7)16-3/h4-5,8,13H,6H2,1-3H3,(H,14,15)
InChIKeyRTASOBZXAUJDRQ-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-2-hydroxy-4-methylphenyl)-2-methylpropanoic acid
CID 84713491
3-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)-2-methylpropanoic acid
CID 84700683
3-(2-fluoro-4-hydroxy-3-methoxy-5-methylphenyl)-2-methylpropanoic acid
CID 117357352
3-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-methylpropanoic acid
CID 84814594
3-(2-hydroxy-3-methoxy-4-methylphenyl)-2,2-dimethylpropanoic acid
CID 117348985
3-(2,5-dimethoxy-3-methylphenyl)-2-methylpropanoic acid
CID 117349142
3-(2-hydroxy-5-methoxy-4-methylphenyl)-2-methylpropanoic acid
CID 117321917
3-(2-methoxy-4-methylphenyl)-2-methylpropanoic acid
CID 82611587
3-(4-bromo-3-fluoro-2-methoxyphenyl)-2-methylpropanoic acid
CID 117470123
3-(3-bromo-2,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 103524126
(2S)-3-(2,3-dimethoxyphenyl)-2-methylpropanoic acid
CID 95001496
3-(4-chloro-2-hydroxy-3-methoxy-6-methylphenyl)-2-methylpropanoic acid
CID 117400516

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-methoxy-4-methylphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(2-hydroxy-3-methoxy-4-methylphenyl)-2-methylpropanoic acid (CID 84689070) is 3-(2-hydroxy-3-methoxy-4-methylphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-hydroxy-3-methoxy-4-methylphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-hydroxy-3-methoxy-4-methylphenyl)-2-methylpropanoic acid is COc1c(C)ccc(CC(C)C(=O)O)c1O.
What is the InChIKey of 3-(2-hydroxy-3-methoxy-4-methylphenyl)-2-methylpropanoic acid?
The InChIKey is RTASOBZXAUJDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-7-4-5-9(6-8(2)12(14)15)10(13)11(7)16-3/h4-5,8,13H,6H2,1-3H3,(H,14,15).
What are the key properties of 3-(2-hydroxy-3-methoxy-4-methylphenyl)-2-methylpropanoic acid?
3-(2-hydroxy-3-methoxy-4-methylphenyl)-2-methylpropanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-methoxy-4-methylphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 84689070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).