3-(2-hydroxy-3-methoxy-4-methylphenyl)-2,2-dimethylpropanoic acid

C13H18O4 — CID 117348985

IUPAC3-(2-hydroxy-3-methoxy-4-methylphenyl)-2,2-dimethylpropanoic acid
SMILESCOc1c(C)ccc(CC(C)(C)C(=O)O)c1O
InChIInChI=1S/C13H18O4/c1-8-5-6-9(10(14)11(8)17-4)7-13(2,3)12(15)16/h5-6,14H,7H2,1-4H3,(H,15,16)
InChIKeyOZUKXWVVUQCORZ-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.36
Rot. Bonds4

About 3-(2-hydroxy-3-methoxy-4-methylphenyl)-2,2-dimethylpropanoic acid

3-(2-hydroxy-3-methoxy-4-methylphenyl)-2,2-dimethylpropanoic acid (PubChem CID 117348985) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 3-(2-hydroxy-3-methoxy-4-methylphenyl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(2-hydroxy-3-methoxy-4-methylphenyl)-2,2-dimethylpropanoic acid
PubChem CID117348985
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name3-(2-hydroxy-3-methoxy-4-methylphenyl)-2,2-dimethylpropanoic acid
SMILESCOc1c(C)ccc(CC(C)(C)C(=O)O)c1O
InChIInChI=1S/C13H18O4/c1-8-5-6-9(10(14)11(8)17-4)7-13(2,3)12(15)16/h5-6,14H,7H2,1-4H3,(H,15,16)
InChIKeyOZUKXWVVUQCORZ-UHFFFAOYSA-N
XLogP2.36
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-2-hydroxy-3-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117487920
3-(2-chloro-3-methoxy-4-methylphenyl)-2,2-dimethylpropanoic acid
CID 117395239
3-(4-chloro-3-hydroxy-2-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117400353
3-(2-hydroxy-3-methoxy-4-methylphenyl)-2-methylpropanoic acid
CID 84689070
3-(3-ethyl-2-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117345111
3-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylpropanoic acid
CID 82291639
3-(5-chloro-4-fluoro-2-hydroxy-3-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117443311
3-(2,3-difluoro-4-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117362174
3-(4-hydroxy-2-methyl-1H-indol-5-yl)-2,2-dimethylpropanoic acid
CID 117370245
3-(4-chloro-2-fluoro-3-methoxy-5-methylphenyl)-2,2-dimethylpropanoic acid
CID 117439274
3-(5-chloro-3-fluoro-2-hydroxy-4-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117443306
3-(2-fluoro-5-methoxy-3-methylphenyl)-2,2-dimethylpropanoic acid
CID 117353387

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-methoxy-4-methylphenyl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(2-hydroxy-3-methoxy-4-methylphenyl)-2,2-dimethylpropanoic acid (CID 117348985) is 3-(2-hydroxy-3-methoxy-4-methylphenyl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(2-hydroxy-3-methoxy-4-methylphenyl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(2-hydroxy-3-methoxy-4-methylphenyl)-2,2-dimethylpropanoic acid is COc1c(C)ccc(CC(C)(C)C(=O)O)c1O.
What is the InChIKey of 3-(2-hydroxy-3-methoxy-4-methylphenyl)-2,2-dimethylpropanoic acid?
The InChIKey is OZUKXWVVUQCORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-8-5-6-9(10(14)11(8)17-4)7-13(2,3)12(15)16/h5-6,14H,7H2,1-4H3,(H,15,16).
What are the key properties of 3-(2-hydroxy-3-methoxy-4-methylphenyl)-2,2-dimethylpropanoic acid?
3-(2-hydroxy-3-methoxy-4-methylphenyl)-2,2-dimethylpropanoic acid has a molecular weight of 238.28 g/mol, XLogP of 2.36, 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)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 117348985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).