2-(2-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid

C17H24O2 — CID 81021069

IUPAC2-(2-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCc1ccccc1C1CC(C(C)C)CCC1C(=O)O
InChIInChI=1S/C17H24O2/c1-11(2)13-8-9-15(17(18)19)16(10-13)14-7-5-4-6-12(14)3/h4-7,11,13,15-16H,8-10H2,1-3H3,(H,18,19)
InChIKeyCYUNSRQAFNVQGZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.24
Rot. Bonds3

About 2-(2-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid

2-(2-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid (PubChem CID 81021069) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
PubChem CID81021069
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2-(2-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCc1ccccc1C1CC(C(C)C)CCC1C(=O)O
InChIInChI=1S/C17H24O2/c1-11(2)13-8-9-15(17(18)19)16(10-13)14-7-5-4-6-12(14)3/h4-7,11,13,15-16H,8-10H2,1-3H3,(H,18,19)
InChIKeyCYUNSRQAFNVQGZ-UHFFFAOYSA-N
XLogP4.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid (CID 81021069) is 2-(2-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid is Cc1ccccc1C1CC(C(C)C)CCC1C(=O)O.
What is the InChIKey of 2-(2-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is CYUNSRQAFNVQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-11(2)13-8-9-15(17(18)19)16(10-13)14-7-5-4-6-12(14)3/h4-7,11,13,15-16H,8-10H2,1-3H3,(H,18,19).
What are the key properties of 2-(2-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
2-(2-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 260.38 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 81021069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).