2-(cyclohexen-1-yl)-1-(4-cyclopropyloxyphenyl)ethanone

C17H20O2 — CID 114518972

IUPAC2-(cyclohexen-1-yl)-1-(4-cyclopropyloxyphenyl)ethanone
SMILESO=C(CC1=CCCCC1)c1ccc(OC2CC2)cc1
InChIInChI=1S/C17H20O2/c18-17(12-13-4-2-1-3-5-13)14-6-8-15(9-7-14)19-16-10-11-16/h4,6-9,16H,1-3,5,10-12H2
InChIKeyDGZYQTKVFIKRSY-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.30
Rot. Bonds5

About 2-(cyclohexen-1-yl)-1-(4-cyclopropyloxyphenyl)ethanone

2-(cyclohexen-1-yl)-1-(4-cyclopropyloxyphenyl)ethanone (PubChem CID 114518972) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(4-cyclopropyloxyphenyl)ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(4-cyclopropyloxyphenyl)ethanone
PubChem CID114518972
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name2-(cyclohexen-1-yl)-1-(4-cyclopropyloxyphenyl)ethanone
SMILESO=C(CC1=CCCCC1)c1ccc(OC2CC2)cc1
InChIInChI=1S/C17H20O2/c18-17(12-13-4-2-1-3-5-13)14-6-8-15(9-7-14)19-16-10-11-16/h4,6-9,16H,1-3,5,10-12H2
InChIKeyDGZYQTKVFIKRSY-UHFFFAOYSA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(cyclohexen-1-yl)-1-(4-cyclopropyloxyphenyl)ethanone 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

2-(cyclohexen-1-yl)-1-(4-methylphenyl)ethanone
CID 116659602
2-(cyclopentylamino)-1-(4-cyclopropyloxyphenyl)ethanone
CID 114520577
2-(3-aminophenyl)-1-(4-cyclopropyloxyphenyl)ethanone
CID 114520628
1-(3-chloro-4-methylphenyl)-2-(cyclohexen-1-yl)ethanone
CID 107559942
2-cyclohexylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanone
CID 114518858
2-(4-cyclopentyloxyphenyl)acetamide
CID 82493829
1-(4-cyclopropyloxyphenyl)nonan-1-one
CID 115812846
2-(2-chloro-4-fluorophenyl)-1-(4-cyclopropyloxyphenyl)ethanone
CID 114518830
bromo 4-cyclobutyloxybenzoate
CID 70345059
4-cycloheptyloxybenzamide
CID 141109251
2-(cyclohexen-1-yl)-1-(2-methylquinolin-6-yl)ethanone
CID 116659682
3-(4-cyclopentyloxyphenyl)-2-oxopropanoic acid
CID 82161370

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(4-cyclopropyloxyphenyl)ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(4-cyclopropyloxyphenyl)ethanone (CID 114518972) is 2-(cyclohexen-1-yl)-1-(4-cyclopropyloxyphenyl)ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(4-cyclopropyloxyphenyl)ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(4-cyclopropyloxyphenyl)ethanone is O=C(CC1=CCCCC1)c1ccc(OC2CC2)cc1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(4-cyclopropyloxyphenyl)ethanone?
The InChIKey is DGZYQTKVFIKRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c18-17(12-13-4-2-1-3-5-13)14-6-8-15(9-7-14)19-16-10-11-16/h4,6-9,16H,1-3,5,10-12H2.
What are the key properties of 2-(cyclohexen-1-yl)-1-(4-cyclopropyloxyphenyl)ethanone?
2-(cyclohexen-1-yl)-1-(4-cyclopropyloxyphenyl)ethanone has a molecular weight of 256.34 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-(4-cyclopropyloxyphenyl)ethanone is sourced from PubChem (CID 114518972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).