2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanone

C17H24O — CID 63409929

IUPAC2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanone
SMILESCCc1ccc(CC(=O)C2CCCC(C)C2)cc1
InChIInChI=1S/C17H24O/c1-3-14-7-9-15(10-8-14)12-17(18)16-6-4-5-13(2)11-16/h7-10,13,16H,3-6,11-12H2,1-2H3
InChIKeyXRABVZODEBOLRT-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.19
Rot. Bonds4

About 2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanone

2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanone (PubChem CID 63409929) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanone
PubChem CID63409929
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanone
SMILESCCc1ccc(CC(=O)C2CCCC(C)C2)cc1
InChIInChI=1S/C17H24O/c1-3-14-7-9-15(10-8-14)12-17(18)16-6-4-5-13(2)11-16/h7-10,13,16H,3-6,11-12H2,1-2H3
InChIKeyXRABVZODEBOLRT-UHFFFAOYSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-tert-butylphenyl)-1-(3-methylcyclohexyl)ethanone
CID 63409366
2-(5-ethyl-2-pyridinyl)-1-(3-methylcyclohexyl)ethanone
CID 79745576
2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanone
CID 65476464
2-(4-ethylphenyl)-1-piperidin-3-ylethanone
CID 82082195
1-cyclobutyl-2-(4-methylphenyl)ethanone
CID 61080102
2-(4-ethylphenyl)-1-piperidin-2-ylethanone
CID 116547776
2-(4-ethylphenyl)-1-(thiolan-3-yl)ethanone
CID 105081689
2-(4-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone
CID 114853742
2-(3-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone
CID 82802600
2-(4-chlorophenyl)-1-cyclobutylethanone
CID 61077692
2-(furan-3-yl)-1-(3-methylcyclopentyl)ethanone
CID 83171833
2-amino-1-(3-methylcyclohexyl)ethanone
CID 116548396

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanone?
The IUPAC name of 2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanone (CID 63409929) is 2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanone?
The canonical SMILES for 2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanone is CCc1ccc(CC(=O)C2CCCC(C)C2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanone?
The InChIKey is XRABVZODEBOLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-3-14-7-9-15(10-8-14)12-17(18)16-6-4-5-13(2)11-16/h7-10,13,16H,3-6,11-12H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanone?
2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanone has a molecular weight of 244.38 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanone is sourced from PubChem (CID 63409929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).