3-(4-propylphenyl)cyclohexan-1-one

C15H20O — CID 64521897

IUPAC3-(4-propylphenyl)cyclohexan-1-one
SMILESCCCc1ccc(C2CCCC(=O)C2)cc1
InChIInChI=1S/C15H20O/c1-2-4-12-7-9-13(10-8-12)14-5-3-6-15(16)11-14/h7-10,14H,2-6,11H2,1H3
InChIKeyRYRAKIDEEJUEHG-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.87
Rot. Bonds3

About 3-(4-propylphenyl)cyclohexan-1-one

3-(4-propylphenyl)cyclohexan-1-one (PubChem CID 64521897) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-(4-propylphenyl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(4-propylphenyl)cyclohexan-1-one
PubChem CID64521897
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name3-(4-propylphenyl)cyclohexan-1-one
SMILESCCCc1ccc(C2CCCC(=O)C2)cc1
InChIInChI=1S/C15H20O/c1-2-4-12-7-9-13(10-8-12)14-5-3-6-15(16)11-14/h7-10,14H,2-6,11H2,1H3
InChIKeyRYRAKIDEEJUEHG-UHFFFAOYSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(4-propylphenyl)cyclohexan-1-one 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 3-(4-propylphenyl)cyclohexan-1-one?
The IUPAC name of 3-(4-propylphenyl)cyclohexan-1-one (CID 64521897) is 3-(4-propylphenyl)cyclohexan-1-one.
What is the SMILES notation for 3-(4-propylphenyl)cyclohexan-1-one?
The canonical SMILES for 3-(4-propylphenyl)cyclohexan-1-one is CCCc1ccc(C2CCCC(=O)C2)cc1.
What is the InChIKey of 3-(4-propylphenyl)cyclohexan-1-one?
The InChIKey is RYRAKIDEEJUEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-2-4-12-7-9-13(10-8-12)14-5-3-6-15(16)11-14/h7-10,14H,2-6,11H2,1H3.
What are the key properties of 3-(4-propylphenyl)cyclohexan-1-one?
3-(4-propylphenyl)cyclohexan-1-one has a molecular weight of 216.32 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propylphenyl)cyclohexan-1-one is sourced from PubChem (CID 64521897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).