1-(4-ethylcyclohexyl)-2-naphthalen-1-ylethanone

C20H24O — CID 65393715

IUPAC1-(4-ethylcyclohexyl)-2-naphthalen-1-ylethanone
SMILESCCC1CCC(C(=O)Cc2cccc3ccccc23)CC1
InChIInChI=1S/C20H24O/c1-2-15-10-12-17(13-11-15)20(21)14-18-8-5-7-16-6-3-4-9-19(16)18/h3-9,15,17H,2,10-14H2,1H3
InChIKeySFTJVLLSVUCLPO-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.17
Rot. Bonds4

About 1-(4-ethylcyclohexyl)-2-naphthalen-1-ylethanone

1-(4-ethylcyclohexyl)-2-naphthalen-1-ylethanone (PubChem CID 65393715) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-2-naphthalen-1-ylethanone
PubChem CID65393715
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name1-(4-ethylcyclohexyl)-2-naphthalen-1-ylethanone
SMILESCCC1CCC(C(=O)Cc2cccc3ccccc23)CC1
InChIInChI=1S/C20H24O/c1-2-15-10-12-17(13-11-15)20(21)14-18-8-5-7-16-6-3-4-9-19(16)18/h3-9,15,17H,2,10-14H2,1H3
InChIKeySFTJVLLSVUCLPO-UHFFFAOYSA-N
XLogP5.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chlorophenyl)-1-(4-ethylcyclohexyl)ethanone
CID 64776634
1-(3,4-dimethylcyclohexyl)-2-naphthalen-1-ylethanone
CID 105105273
2-anthracen-1-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone
CID 58145744
1-(3,5-dimethylcyclohexyl)-2-naphthalen-1-ylethanone
CID 105105139
3-naphthalen-1-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]propan-1-one
CID 58145597
(3-ethylcyclopentyl)-naphthalen-1-ylmethanone
CID 65409486
1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-naphthalen-1-ylethanone
CID 171948945
1-(1-benzylpiperidin-4-yl)-2-naphthalen-1-ylethanone
CID 22247948
1-naphthalen-1-ylbutan-2-one
CID 4564544
1-(2-methylcyclopropyl)-2-naphthalen-1-ylethanone
CID 61055472
1-cyclopropyl-2-(2-methylphenyl)ethanone
CID 39236490
2-(1-benzothiophen-3-yl)-1-(3-ethylcyclopentyl)ethanone
CID 65409096

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-2-naphthalen-1-ylethanone?
The IUPAC name of 1-(4-ethylcyclohexyl)-2-naphthalen-1-ylethanone (CID 65393715) is 1-(4-ethylcyclohexyl)-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-(4-ethylcyclohexyl)-2-naphthalen-1-ylethanone is CCC1CCC(C(=O)Cc2cccc3ccccc23)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-2-naphthalen-1-ylethanone?
The InChIKey is SFTJVLLSVUCLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-2-15-10-12-17(13-11-15)20(21)14-18-8-5-7-16-6-3-4-9-19(16)18/h3-9,15,17H,2,10-14H2,1H3.
What are the key properties of 1-(4-ethylcyclohexyl)-2-naphthalen-1-ylethanone?
1-(4-ethylcyclohexyl)-2-naphthalen-1-ylethanone has a molecular weight of 280.41 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-2-naphthalen-1-ylethanone is sourced from PubChem (CID 65393715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).