2-(2,4-dimethylphenyl)-4-methylcyclohexane-1-carboxylic acid

C16H22O2 — CID 81020459

IUPAC2-(2,4-dimethylphenyl)-4-methylcyclohexane-1-carboxylic acid
SMILESCc1ccc(C2CC(C)CCC2C(=O)O)c(C)c1
InChIInChI=1S/C16H22O2/c1-10-4-6-13(12(3)8-10)15-9-11(2)5-7-14(15)16(17)18/h4,6,8,11,14-15H,5,7,9H2,1-3H3,(H,17,18)
InChIKeyOBAYAVZJHUEOEN-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.91
Rot. Bonds2

About 2-(2,4-dimethylphenyl)-4-methylcyclohexane-1-carboxylic acid

2-(2,4-dimethylphenyl)-4-methylcyclohexane-1-carboxylic acid (PubChem CID 81020459) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-4-methylcyclohexane-1-carboxylic acid
PubChem CID81020459
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name2-(2,4-dimethylphenyl)-4-methylcyclohexane-1-carboxylic acid
SMILESCc1ccc(C2CC(C)CCC2C(=O)O)c(C)c1
InChIInChI=1S/C16H22O2/c1-10-4-6-13(12(3)8-10)15-9-11(2)5-7-14(15)16(17)18/h4,6,8,11,14-15H,5,7,9H2,1-3H3,(H,17,18)
InChIKeyOBAYAVZJHUEOEN-UHFFFAOYSA-N
XLogP3.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2,4-dimethylphenyl)-4-methylcyclohexane-1-carboxylic acid (CID 81020459) is 2-(2,4-dimethylphenyl)-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2,4-dimethylphenyl)-4-methylcyclohexane-1-carboxylic acid is Cc1ccc(C2CC(C)CCC2C(=O)O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is OBAYAVZJHUEOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-10-4-6-13(12(3)8-10)15-9-11(2)5-7-14(15)16(17)18/h4,6,8,11,14-15H,5,7,9H2,1-3H3,(H,17,18).
What are the key properties of 2-(2,4-dimethylphenyl)-4-methylcyclohexane-1-carboxylic acid?
2-(2,4-dimethylphenyl)-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 246.35 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 81020459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).