3-(2-propan-2-ylphenoxy)cyclohexan-1-one

C15H20O2 — CID 79618145

IUPAC3-(2-propan-2-ylphenoxy)cyclohexan-1-one
SMILESCC(C)c1ccccc1OC1CCCC(=O)C1
InChIInChI=1S/C15H20O2/c1-11(2)14-8-3-4-9-15(14)17-13-7-5-6-12(16)10-13/h3-4,8-9,11,13H,5-7,10H2,1-2H3
InChIKeyLTSDJDLQCPYPGL-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.70
Rot. Bonds3

About 3-(2-propan-2-ylphenoxy)cyclohexan-1-one

3-(2-propan-2-ylphenoxy)cyclohexan-1-one (PubChem CID 79618145) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-(2-propan-2-ylphenoxy)cyclohexan-1-one.

Molecular Properties

Compound Name3-(2-propan-2-ylphenoxy)cyclohexan-1-one
PubChem CID79618145
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name3-(2-propan-2-ylphenoxy)cyclohexan-1-one
SMILESCC(C)c1ccccc1OC1CCCC(=O)C1
InChIInChI=1S/C15H20O2/c1-11(2)14-8-3-4-9-15(14)17-13-7-5-6-12(16)10-13/h3-4,8-9,11,13H,5-7,10H2,1-2H3
InChIKeyLTSDJDLQCPYPGL-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2-propan-2-ylphenoxy)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-(2-propan-2-ylphenoxy)cyclohexan-1-one?
The IUPAC name of 3-(2-propan-2-ylphenoxy)cyclohexan-1-one (CID 79618145) is 3-(2-propan-2-ylphenoxy)cyclohexan-1-one.
What is the SMILES notation for 3-(2-propan-2-ylphenoxy)cyclohexan-1-one?
The canonical SMILES for 3-(2-propan-2-ylphenoxy)cyclohexan-1-one is CC(C)c1ccccc1OC1CCCC(=O)C1.
What is the InChIKey of 3-(2-propan-2-ylphenoxy)cyclohexan-1-one?
The InChIKey is LTSDJDLQCPYPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-11(2)14-8-3-4-9-15(14)17-13-7-5-6-12(16)10-13/h3-4,8-9,11,13H,5-7,10H2,1-2H3.
What are the key properties of 3-(2-propan-2-ylphenoxy)cyclohexan-1-one?
3-(2-propan-2-ylphenoxy)cyclohexan-1-one has a molecular weight of 232.32 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-ylphenoxy)cyclohexan-1-one is sourced from PubChem (CID 79618145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).