4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexane-1-carboxylic acid

C19H28O2 — CID 81013563

IUPAC4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexane-1-carboxylic acid
SMILESCc1cc(C)c(C2CC(C(C)C)CCC2C(=O)O)cc1C
InChIInChI=1S/C19H28O2/c1-11(2)15-6-7-16(19(20)21)18(10-15)17-9-13(4)12(3)8-14(17)5/h8-9,11,15-16,18H,6-7,10H2,1-5H3,(H,20,21)
InChIKeySJLZDKAKERAFKS-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.85
Rot. Bonds3

About 4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexane-1-carboxylic acid

4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 81013563) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexane-1-carboxylic acid
PubChem CID81013563
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexane-1-carboxylic acid
SMILESCc1cc(C)c(C2CC(C(C)C)CCC2C(=O)O)cc1C
InChIInChI=1S/C19H28O2/c1-11(2)15-6-7-16(19(20)21)18(10-15)17-9-13(4)12(3)8-14(17)5/h8-9,11,15-16,18H,6-7,10H2,1-5H3,(H,20,21)
InChIKeySJLZDKAKERAFKS-UHFFFAOYSA-N
XLogP4.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-propan-2-yl-2-(2,4,5-trimethylphenyl)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

2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81021403
2-(2-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81021069
2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020656
[4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexyl]methanamine
CID 81012688
2-(3-methylthiophen-2-yl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020585
2-(3-bromo-2-fluorophenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 106646947
2-(6-methyl-3-pyridinyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020663
2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020421
2-(2,4-dimethylphenyl)-4-methylcyclohexane-1-carboxylic acid
CID 81020459
2-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 82477382
trans-(1S,2S)-2-(2,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 94240840
2-(5-fluoro-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 81008472

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexane-1-carboxylic acid (CID 81013563) is 4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexane-1-carboxylic acid is Cc1cc(C)c(C2CC(C(C)C)CCC2C(=O)O)cc1C.
What is the InChIKey of 4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is SJLZDKAKERAFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-11(2)15-6-7-16(19(20)21)18(10-15)17-9-13(4)12(3)8-14(17)5/h8-9,11,15-16,18H,6-7,10H2,1-5H3,(H,20,21).
What are the key properties of 4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexane-1-carboxylic acid?
4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 288.43 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 81013563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).