2-(naphthalen-1-ylmethyl)-4-propan-2-ylcyclohexan-1-one

C20H24O — CID 63400278

IUPAC2-(naphthalen-1-ylmethyl)-4-propan-2-ylcyclohexan-1-one
SMILESCC(C)C1CCC(=O)C(Cc2cccc3ccccc23)C1
InChIInChI=1S/C20H24O/c1-14(2)16-10-11-20(21)18(12-16)13-17-8-5-7-15-6-3-4-9-19(15)17/h3-9,14,16,18H,10-13H2,1-2H3
InChIKeyLHEBGSQHUFQSHY-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.02
Rot. Bonds3

About 2-(naphthalen-1-ylmethyl)-4-propan-2-ylcyclohexan-1-one

2-(naphthalen-1-ylmethyl)-4-propan-2-ylcyclohexan-1-one (PubChem CID 63400278) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)-4-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethyl)-4-propan-2-ylcyclohexan-1-one
PubChem CID63400278
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name2-(naphthalen-1-ylmethyl)-4-propan-2-ylcyclohexan-1-one
SMILESCC(C)C1CCC(=O)C(Cc2cccc3ccccc23)C1
InChIInChI=1S/C20H24O/c1-14(2)16-10-11-20(21)18(12-16)13-17-8-5-7-15-6-3-4-9-19(15)17/h3-9,14,16,18H,10-13H2,1-2H3
InChIKeyLHEBGSQHUFQSHY-UHFFFAOYSA-N
XLogP5.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-hydroxy-2-phenylethyl)-4-propan-2-ylcyclohexan-1-one
CID 79417162
2-[(5-bromo-2-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-one
CID 63399847
2-[(5-chloro-2-nitrophenyl)methyl]-4-propan-2-ylcyclohexan-1-one
CID 79556325
4-ethyl-2-(quinolin-4-ylmethyl)cyclohexan-1-one
CID 79417857
4-propan-2-yl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62703961
2-[(5-methyl-3-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-one
CID 102877341
4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one
CID 63774381
2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-one
CID 63399886
1-ethylnaphthalene;methylcyclopropane
CID 142069670
2-[(2-bromophenyl)methyl]-4-tert-butylcyclohexan-1-one
CID 55186721
(2S)-4-naphthalen-1-ylbutan-2-amine
CID 93315345
2-[[methyl(thiolan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 62704880

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethyl)-4-propan-2-ylcyclohexan-1-one?
The IUPAC name of 2-(naphthalen-1-ylmethyl)-4-propan-2-ylcyclohexan-1-one (CID 63400278) is 2-(naphthalen-1-ylmethyl)-4-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for 2-(naphthalen-1-ylmethyl)-4-propan-2-ylcyclohexan-1-one?
The canonical SMILES for 2-(naphthalen-1-ylmethyl)-4-propan-2-ylcyclohexan-1-one is CC(C)C1CCC(=O)C(Cc2cccc3ccccc23)C1.
What is the InChIKey of 2-(naphthalen-1-ylmethyl)-4-propan-2-ylcyclohexan-1-one?
The InChIKey is LHEBGSQHUFQSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-14(2)16-10-11-20(21)18(12-16)13-17-8-5-7-15-6-3-4-9-19(15)17/h3-9,14,16,18H,10-13H2,1-2H3.
What are the key properties of 2-(naphthalen-1-ylmethyl)-4-propan-2-ylcyclohexan-1-one?
2-(naphthalen-1-ylmethyl)-4-propan-2-ylcyclohexan-1-one has a molecular weight of 280.41 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethyl)-4-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 63400278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).