2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid

C18H26O2 — CID 81021403

IUPAC2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCc1ccc(C)c(C2CC(C(C)C)CCC2C(=O)O)c1
InChIInChI=1S/C18H26O2/c1-11(2)14-7-8-15(18(19)20)17(10-14)16-9-12(3)5-6-13(16)4/h5-6,9,11,14-15,17H,7-8,10H2,1-4H3,(H,19,20)
InChIKeyQLBLGVLZMGNCGC-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.54
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid

2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid (PubChem CID 81021403) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
PubChem CID81021403
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCc1ccc(C)c(C2CC(C(C)C)CCC2C(=O)O)c1
InChIInChI=1S/C18H26O2/c1-11(2)14-7-8-15(18(19)20)17(10-14)16-9-12(3)5-6-13(16)4/h5-6,9,11,14-15,17H,7-8,10H2,1-4H3,(H,19,20)
InChIKeyQLBLGVLZMGNCGC-UHFFFAOYSA-N
XLogP4.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid (CID 81021403) is 2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid is Cc1ccc(C)c(C2CC(C(C)C)CCC2C(=O)O)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is QLBLGVLZMGNCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-11(2)14-7-8-15(18(19)20)17(10-14)16-9-12(3)5-6-13(16)4/h5-6,9,11,14-15,17H,7-8,10H2,1-4H3,(H,19,20).
What are the key properties of 2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 274.40 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 81021403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).