2-(cyclohexen-1-yl)-1-(3-ethylphenyl)ethanone

C16H20O — CID 116659787

IUPAC2-(cyclohexen-1-yl)-1-(3-ethylphenyl)ethanone
SMILESCCc1cccc(C(=O)CC2=CCCCC2)c1
InChIInChI=1S/C16H20O/c1-2-13-9-6-10-15(11-13)16(17)12-14-7-4-3-5-8-14/h6-7,9-11H,2-5,8,12H2,1H3
InChIKeyDOXKVUOWSKTHSE-UHFFFAOYSA-N
MW228.33 g/mol
LogP4.32
Rot. Bonds4

About 2-(cyclohexen-1-yl)-1-(3-ethylphenyl)ethanone

2-(cyclohexen-1-yl)-1-(3-ethylphenyl)ethanone (PubChem CID 116659787) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(3-ethylphenyl)ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(3-ethylphenyl)ethanone
PubChem CID116659787
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Name2-(cyclohexen-1-yl)-1-(3-ethylphenyl)ethanone
SMILESCCc1cccc(C(=O)CC2=CCCCC2)c1
InChIInChI=1S/C16H20O/c1-2-13-9-6-10-15(11-13)16(17)12-14-7-4-3-5-8-14/h6-7,9-11H,2-5,8,12H2,1H3
InChIKeyDOXKVUOWSKTHSE-UHFFFAOYSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)-1-(4-methylphenyl)ethanone
CID 116659602
1-(3-chloro-4-methylphenyl)-2-(cyclohexen-1-yl)ethanone
CID 107559942
2-(cyclohexen-1-yl)-1-(2-methylquinolin-6-yl)ethanone
CID 116659682
2-(cyclohexen-1-yl)-1-(furan-2-yl)ethanone
CID 116659668
ethane;1-(3-ethylphenyl)propan-1-one
CID 142830478
2-(cyclohexen-1-yl)-1-(3-fluoro-5-methylphenyl)ethanone
CID 116659845
3-(3-ethylphenyl)-3-oxopropanoic acid
CID 55267512
2-(cyclohexen-1-yl)-1-(2,5-dimethylphenyl)ethanone
CID 116659694
3-ethyl-N-methylbenzamide
CID 59115297
2-(1,3-dioxolan-2-yl)-1-(3-ethylphenyl)ethanone
CID 103543782
3-ethylbenzoic acid;propane
CID 177324794
N'-(cyclohexen-1-ylmethyl)-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;ethane
CID 143169947

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(3-ethylphenyl)ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(3-ethylphenyl)ethanone (CID 116659787) is 2-(cyclohexen-1-yl)-1-(3-ethylphenyl)ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(3-ethylphenyl)ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(3-ethylphenyl)ethanone is CCc1cccc(C(=O)CC2=CCCCC2)c1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(3-ethylphenyl)ethanone?
The InChIKey is DOXKVUOWSKTHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-2-13-9-6-10-15(11-13)16(17)12-14-7-4-3-5-8-14/h6-7,9-11H,2-5,8,12H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-(3-ethylphenyl)ethanone?
2-(cyclohexen-1-yl)-1-(3-ethylphenyl)ethanone has a molecular weight of 228.33 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-(3-ethylphenyl)ethanone is sourced from PubChem (CID 116659787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).