1-(3,5-dimethoxy-2-methylphenyl)cyclohexane-1-carboxylic acid

C16H22O4 — CID 117446109

IUPAC1-(3,5-dimethoxy-2-methylphenyl)cyclohexane-1-carboxylic acid
SMILESCOc1cc(OC)c(C)c(C2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C16H22O4/c1-11-13(9-12(19-2)10-14(11)20-3)16(15(17)18)7-5-4-6-8-16/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyWAOHNEKGVZSXHJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.30
Rot. Bonds4

About 1-(3,5-dimethoxy-2-methylphenyl)cyclohexane-1-carboxylic acid

1-(3,5-dimethoxy-2-methylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 117446109) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(3,5-dimethoxy-2-methylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dimethoxy-2-methylphenyl)cyclohexane-1-carboxylic acid
PubChem CID117446109
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name1-(3,5-dimethoxy-2-methylphenyl)cyclohexane-1-carboxylic acid
SMILESCOc1cc(OC)c(C)c(C2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C16H22O4/c1-11-13(9-12(19-2)10-14(11)20-3)16(15(17)18)7-5-4-6-8-16/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyWAOHNEKGVZSXHJ-UHFFFAOYSA-N
XLogP3.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-dimethoxy-2-methylphenyl)cyclohexane-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-(3-bromo-5-methoxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117481805
1-(3-chloro-5-methoxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117390007
1-(2-hydroxy-5-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid
CID 117415085
1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopentane-1-carboxylic acid
CID 117453646
1-(2-chloro-4,6-dimethoxyphenyl)cyclopentane-1-carboxylic acid
CID 117458267
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
1-(5-chloro-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117454399
1-(2-fluoro-4-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 117419815
[1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine
CID 117377436
1-(2-hydroxy-5-methoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 117344803
1-(4-hydroxy-2,5-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383425
1-(4-bromo-2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117498389

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxy-2-methylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(3,5-dimethoxy-2-methylphenyl)cyclohexane-1-carboxylic acid (CID 117446109) is 1-(3,5-dimethoxy-2-methylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(3,5-dimethoxy-2-methylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(3,5-dimethoxy-2-methylphenyl)cyclohexane-1-carboxylic acid is COc1cc(OC)c(C)c(C2(C(=O)O)CCCCC2)c1.
What is the InChIKey of 1-(3,5-dimethoxy-2-methylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is WAOHNEKGVZSXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-11-13(9-12(19-2)10-14(11)20-3)16(15(17)18)7-5-4-6-8-16/h9-10H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 1-(3,5-dimethoxy-2-methylphenyl)cyclohexane-1-carboxylic acid?
1-(3,5-dimethoxy-2-methylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxy-2-methylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117446109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).