1-(4-hydroxy-2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid

C13H16O4 — CID 117344763

IUPAC1-(4-hydroxy-2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
SMILESCOc1cc(O)cc(C)c1C1(C(=O)O)CCC1
InChIInChI=1S/C13H16O4/c1-8-6-9(14)7-10(17-2)11(8)13(12(15)16)4-3-5-13/h6-7,14H,3-5H2,1-2H3,(H,15,16)
InChIKeyYVZBHFDCOIVFLO-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.22
Rot. Bonds3

About 1-(4-hydroxy-2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid

1-(4-hydroxy-2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid (PubChem CID 117344763) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxy-2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
PubChem CID117344763
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name1-(4-hydroxy-2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
SMILESCOc1cc(O)cc(C)c1C1(C(=O)O)CCC1
InChIInChI=1S/C13H16O4/c1-8-6-9(14)7-10(17-2)11(8)13(12(15)16)4-3-5-13/h6-7,14H,3-5H2,1-2H3,(H,15,16)
InChIKeyYVZBHFDCOIVFLO-UHFFFAOYSA-N
XLogP2.22
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-hydroxy-2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 84787409
1-(2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117344776
1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117388603
1-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117429667
1-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117424259
1-(4-fluoro-2-hydroxy-6-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117424298
1-(2,6-dimethoxy-4-propan-2-ylsulfanylphenyl)cyclobutane-1-carboxylic acid
CID 117495385
3-(2-methoxy-4,6-dimethylphenyl)oxetane-3-carboxylic acid
CID 116871795
1-(2,6-dimethoxy-3-methylphenyl)cyclopentane-1-carboxylic acid
CID 117415227
1-(3-bromo-6-methoxy-2,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 138473188
1-(2-fluoro-3,6-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117388593
1-(2-hydroxy-3,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383426

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(4-hydroxy-2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid (CID 117344763) is 1-(4-hydroxy-2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxy-2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(4-hydroxy-2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid is COc1cc(O)cc(C)c1C1(C(=O)O)CCC1.
What is the InChIKey of 1-(4-hydroxy-2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is YVZBHFDCOIVFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-8-6-9(14)7-10(17-2)11(8)13(12(15)16)4-3-5-13/h6-7,14H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 1-(4-hydroxy-2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid?
1-(4-hydroxy-2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117344763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).