2-methyl-4-(3-methylcyclohexyl)oxybenzoic acid

C15H20O3 — CID 81281730

IUPAC2-methyl-4-(3-methylcyclohexyl)oxybenzoic acid
SMILESCc1cc(OC2CCCC(C)C2)ccc1C(=O)O
InChIInChI=1S/C15H20O3/c1-10-4-3-5-12(8-10)18-13-6-7-14(15(16)17)11(2)9-13/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyKQPVXJZNUQNSHX-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.65
Rot. Bonds3

About 2-methyl-4-(3-methylcyclohexyl)oxybenzoic acid

2-methyl-4-(3-methylcyclohexyl)oxybenzoic acid (PubChem CID 81281730) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-methyl-4-(3-methylcyclohexyl)oxybenzoic acid.

Molecular Properties

Compound Name2-methyl-4-(3-methylcyclohexyl)oxybenzoic acid
PubChem CID81281730
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-methyl-4-(3-methylcyclohexyl)oxybenzoic acid
SMILESCc1cc(OC2CCCC(C)C2)ccc1C(=O)O
InChIInChI=1S/C15H20O3/c1-10-4-3-5-12(8-10)18-13-6-7-14(15(16)17)11(2)9-13/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyKQPVXJZNUQNSHX-UHFFFAOYSA-N
XLogP3.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-4-(3-methylcyclohexyl)oxybenzoic 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

4-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid
CID 81294246
4-iodo-3-(3-methylcyclohexyl)oxybenzoic acid
CID 114103643
2-chloro-4-(3-methylcyclohexyl)oxybenzenecarboximidamide
CID 62948386
4-cycloheptyloxy-2-methylbenzenecarbothioamide
CID 81277562
2-amino-4-(3,4-dimethylcyclohexyl)oxybenzoic acid
CID 113419910
4-(2-cyclobutylethoxy)-2-methylbenzoic acid
CID 106200438
4-(3-methylcyclobutyl)oxybenzoic acid
CID 156751955
(4-cyclopentyloxy-2-methylphenyl)boronic acid
CID 83140342
2-chloro-4-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 55153382
2-methyl-4-[(3-methylcyclopentyl)amino]benzoic acid
CID 114541219
3-[3,5-dimethyl-4-(3-methylcyclohexyl)oxyphenyl]prop-2-enoic acid
CID 77023071
1-[5-amino-2-(3-methylcyclohexyl)oxyphenyl]ethanone
CID 116541096

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylcyclohexyl)oxybenzoic acid?
The IUPAC name of 2-methyl-4-(3-methylcyclohexyl)oxybenzoic acid (CID 81281730) is 2-methyl-4-(3-methylcyclohexyl)oxybenzoic acid.
What is the SMILES notation for 2-methyl-4-(3-methylcyclohexyl)oxybenzoic acid?
The canonical SMILES for 2-methyl-4-(3-methylcyclohexyl)oxybenzoic acid is Cc1cc(OC2CCCC(C)C2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-4-(3-methylcyclohexyl)oxybenzoic acid?
The InChIKey is KQPVXJZNUQNSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-10-4-3-5-12(8-10)18-13-6-7-14(15(16)17)11(2)9-13/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-4-(3-methylcyclohexyl)oxybenzoic acid?
2-methyl-4-(3-methylcyclohexyl)oxybenzoic acid has a molecular weight of 248.32 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylcyclohexyl)oxybenzoic acid is sourced from PubChem (CID 81281730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).