1-(3-phenylprop-2-enyl)-4-propylcyclohexane-1-carboxylic acid

C19H26O2 — CID 79423217

IUPAC1-(3-phenylprop-2-enyl)-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(CC=Cc2ccccc2)(C(=O)O)CC1
InChIInChI=1S/C19H26O2/c1-2-7-16-11-14-19(15-12-16,18(20)21)13-6-10-17-8-4-3-5-9-17/h3-6,8-10,16H,2,7,11-15H2,1H3,(H,20,21)
InChIKeyZYJWCJJEDHEDLG-UHFFFAOYSA-N
MW286.41 g/mol
LogP5.15
Rot. Bonds6

About 1-(3-phenylprop-2-enyl)-4-propylcyclohexane-1-carboxylic acid

1-(3-phenylprop-2-enyl)-4-propylcyclohexane-1-carboxylic acid (PubChem CID 79423217) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is 1-(3-phenylprop-2-enyl)-4-propylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-phenylprop-2-enyl)-4-propylcyclohexane-1-carboxylic acid
PubChem CID79423217
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name1-(3-phenylprop-2-enyl)-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(CC=Cc2ccccc2)(C(=O)O)CC1
InChIInChI=1S/C19H26O2/c1-2-7-16-11-14-19(15-12-16,18(20)21)13-6-10-17-8-4-3-5-9-17/h3-6,8-10,16H,2,7,11-15H2,1H3,(H,20,21)
InChIKeyZYJWCJJEDHEDLG-UHFFFAOYSA-N
XLogP5.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.41
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-phenylprop-2-enyl)-4-propylcyclohexane-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

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylprop-2-enyl)-4-propylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(3-phenylprop-2-enyl)-4-propylcyclohexane-1-carboxylic acid (CID 79423217) is 1-(3-phenylprop-2-enyl)-4-propylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(3-phenylprop-2-enyl)-4-propylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(3-phenylprop-2-enyl)-4-propylcyclohexane-1-carboxylic acid is CCCC1CCC(CC=Cc2ccccc2)(C(=O)O)CC1.
What is the InChIKey of 1-(3-phenylprop-2-enyl)-4-propylcyclohexane-1-carboxylic acid?
The InChIKey is ZYJWCJJEDHEDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-2-7-16-11-14-19(15-12-16,18(20)21)13-6-10-17-8-4-3-5-9-17/h3-6,8-10,16H,2,7,11-15H2,1H3,(H,20,21).
What are the key properties of 1-(3-phenylprop-2-enyl)-4-propylcyclohexane-1-carboxylic acid?
1-(3-phenylprop-2-enyl)-4-propylcyclohexane-1-carboxylic acid has a molecular weight of 286.41 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylprop-2-enyl)-4-propylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 79423217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).