4-ethyl-2-(3-propylphenyl)cyclohexane-1-carboxylic acid

C18H26O2 — CID 116546370

IUPAC4-ethyl-2-(3-propylphenyl)cyclohexane-1-carboxylic acid
SMILESCCCc1cccc(C2CC(CC)CCC2C(=O)O)c1
InChIInChI=1S/C18H26O2/c1-3-6-14-7-5-8-15(11-14)17-12-13(4-2)9-10-16(17)18(19)20/h5,7-8,11,13,16-17H,3-4,6,9-10,12H2,1-2H3,(H,19,20)
InChIKeyFCTBGQJAQTZNPV-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.63
Rot. Bonds5

About 4-ethyl-2-(3-propylphenyl)cyclohexane-1-carboxylic acid

4-ethyl-2-(3-propylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 116546370) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 4-ethyl-2-(3-propylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(3-propylphenyl)cyclohexane-1-carboxylic acid
PubChem CID116546370
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name4-ethyl-2-(3-propylphenyl)cyclohexane-1-carboxylic acid
SMILESCCCc1cccc(C2CC(CC)CCC2C(=O)O)c1
InChIInChI=1S/C18H26O2/c1-3-6-14-7-5-8-15(11-14)17-12-13(4-2)9-10-16(17)18(19)20/h5,7-8,11,13,16-17H,3-4,6,9-10,12H2,1-2H3,(H,19,20)
InChIKeyFCTBGQJAQTZNPV-UHFFFAOYSA-N
XLogP4.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-ethyl-2-(3-propylphenyl)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

N-[[4-ethyl-2-(3-propylphenyl)cyclohexyl]methyl]ethanamine
CID 116546505
2-(3-methoxyphenyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020565
2-(4-tert-butylphenyl)-4-ethylcyclohexane-1-carboxylic acid
CID 81013243
4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 113297402
2-(3-propylphenyl)cyclobutan-1-amine
CID 116546379
1-(3-bromo-2-methylcyclopentyl)-3-propylbenzene
CID 116545938
4-ethyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 81021300
4-[3-(2,2-dimethylpropyl)phenyl]pyrrolidine-3-carboxylic acid
CID 134694800
trans-(1S,2S)-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 28912189
2-[3-(3-oxo-3-thiomorpholin-4-ylpropyl)phenyl]cyclopropane-1-carboxylic acid
CID 154312089
1-bromo-2-(3-propylphenyl)cycloheptane
CID 116545541
2-(2-chloro-5-fluorophenyl)-4-ethylcyclohexane-1-carboxylic acid
CID 105396241

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-propylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-(3-propylphenyl)cyclohexane-1-carboxylic acid (CID 116546370) is 4-ethyl-2-(3-propylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(3-propylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(3-propylphenyl)cyclohexane-1-carboxylic acid is CCCc1cccc(C2CC(CC)CCC2C(=O)O)c1.
What is the InChIKey of 4-ethyl-2-(3-propylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is FCTBGQJAQTZNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-3-6-14-7-5-8-15(11-14)17-12-13(4-2)9-10-16(17)18(19)20/h5,7-8,11,13,16-17H,3-4,6,9-10,12H2,1-2H3,(H,19,20).
What are the key properties of 4-ethyl-2-(3-propylphenyl)cyclohexane-1-carboxylic acid?
4-ethyl-2-(3-propylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 274.40 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-propylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 116546370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).