2-(cyclohexen-1-yl)-1-(2,5-dimethylphenyl)ethanone

C16H20O — CID 116659694

IUPAC2-(cyclohexen-1-yl)-1-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(C(=O)CC2=CCCCC2)c1
InChIInChI=1S/C16H20O/c1-12-8-9-13(2)15(10-12)16(17)11-14-6-4-3-5-7-14/h6,8-10H,3-5,7,11H2,1-2H3
InChIKeyBJGKKHXTIGNYFI-UHFFFAOYSA-N
MW228.33 g/mol
LogP4.38
Rot. Bonds3

About 2-(cyclohexen-1-yl)-1-(2,5-dimethylphenyl)ethanone

2-(cyclohexen-1-yl)-1-(2,5-dimethylphenyl)ethanone (PubChem CID 116659694) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(2,5-dimethylphenyl)ethanone
PubChem CID116659694
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Name2-(cyclohexen-1-yl)-1-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(C(=O)CC2=CCCCC2)c1
InChIInChI=1S/C16H20O/c1-12-8-9-13(2)15(10-12)16(17)11-14-6-4-3-5-7-14/h6,8-10H,3-5,7,11H2,1-2H3
InChIKeyBJGKKHXTIGNYFI-UHFFFAOYSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 54.38
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
2-(cyclohexen-1-yl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 116659700
1-(3-chloro-4-methylphenyl)-2-(cyclohexen-1-yl)ethanone
CID 107559942
2-(cyclohexen-1-yl)-1-(3-fluoro-5-methylphenyl)ethanone
CID 116659845
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519612
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]-5-methylbenzoate
CID 63564039
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide
CID 92682179
2-(cyclohexen-1-yl)-1-(2-methylquinolin-6-yl)ethanone
CID 116659682
2-(cyclopenten-1-yl)-1-(5-methyl-2-pyridinyl)ethanone
CID 130917901
1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone
CID 43337271
N-(3-bromo-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide
CID 63564030
2-(cyclohexen-1-yl)-1-(3-ethylphenyl)ethanone
CID 116659787

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(2,5-dimethylphenyl)ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(2,5-dimethylphenyl)ethanone (CID 116659694) is 2-(cyclohexen-1-yl)-1-(2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(2,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(2,5-dimethylphenyl)ethanone is Cc1ccc(C)c(C(=O)CC2=CCCCC2)c1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(2,5-dimethylphenyl)ethanone?
The InChIKey is BJGKKHXTIGNYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-12-8-9-13(2)15(10-12)16(17)11-14-6-4-3-5-7-14/h6,8-10H,3-5,7,11H2,1-2H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-(2,5-dimethylphenyl)ethanone?
2-(cyclohexen-1-yl)-1-(2,5-dimethylphenyl)ethanone has a molecular weight of 228.33 g/mol, XLogP of 4.38, 3 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-(2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 116659694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).