naphthalen-1-yl-(4-propan-2-ylcyclohexyl)methanone

C20H24O — CID 65425044

IUPACnaphthalen-1-yl-(4-propan-2-ylcyclohexyl)methanone
SMILESCC(C)C1CCC(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C20H24O/c1-14(2)15-10-12-17(13-11-15)20(21)19-9-5-7-16-6-3-4-8-18(16)19/h3-9,14-15,17H,10-13H2,1-2H3
InChIKeyFEPQNJNLHLWSEA-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.48
Rot. Bonds3

About naphthalen-1-yl-(4-propan-2-ylcyclohexyl)methanone

naphthalen-1-yl-(4-propan-2-ylcyclohexyl)methanone (PubChem CID 65425044) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is naphthalen-1-yl-(4-propan-2-ylcyclohexyl)methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-(4-propan-2-ylcyclohexyl)methanone
PubChem CID65425044
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Namenaphthalen-1-yl-(4-propan-2-ylcyclohexyl)methanone
SMILESCC(C)C1CCC(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C20H24O/c1-14(2)15-10-12-17(13-11-15)20(21)19-9-5-7-16-6-3-4-8-18(16)19/h3-9,14-15,17H,10-13H2,1-2H3
InChIKeyFEPQNJNLHLWSEA-UHFFFAOYSA-N
XLogP5.48
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 ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

naphthalen-1-yl-(1-propan-2-ylpiperidin-4-yl)methanone
CID 144874180
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-naphthalen-1-ylmethanone
CID 115997804
(3-ethylcyclopentyl)-naphthalen-1-ylmethanone
CID 65409486
(4-propan-2-ylcyclohexyl)-(2-propoxyphenyl)methanone
CID 104659305
2-cyclopropyl-2-methoxy-1-naphthalen-1-ylethanone
CID 116709189
cyclopropyl-(2-propan-2-ylphenyl)methanone
CID 53437883
[(3S)-1-cyclobutylpiperidin-3-yl]-naphthalen-1-ylmethanone
CID 42357685
2-[2-(cyclopropanecarbonyl)phenyl]propanenitrile
CID 23499878
cyclopropyl-(2-methylsulfanylphenyl)methanone
CID 24724093
cyclopropyl-(2-hydroxyphenyl)methanone
CID 14638095
4-(2-propan-2-ylbenzoyl)cyclohexane-1-carboxylic acid
CID 24722485
N-(2-amino-1-cyclopropylethyl)naphthalene-1-carboxamide
CID 65188485

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-(4-propan-2-ylcyclohexyl)methanone?
The IUPAC name of naphthalen-1-yl-(4-propan-2-ylcyclohexyl)methanone (CID 65425044) is naphthalen-1-yl-(4-propan-2-ylcyclohexyl)methanone.
What is the SMILES notation for naphthalen-1-yl-(4-propan-2-ylcyclohexyl)methanone?
The canonical SMILES for naphthalen-1-yl-(4-propan-2-ylcyclohexyl)methanone is CC(C)C1CCC(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of naphthalen-1-yl-(4-propan-2-ylcyclohexyl)methanone?
The InChIKey is FEPQNJNLHLWSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-14(2)15-10-12-17(13-11-15)20(21)19-9-5-7-16-6-3-4-8-18(16)19/h3-9,14-15,17H,10-13H2,1-2H3.
What are the key properties of naphthalen-1-yl-(4-propan-2-ylcyclohexyl)methanone?
naphthalen-1-yl-(4-propan-2-ylcyclohexyl)methanone has a molecular weight of 280.41 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-(4-propan-2-ylcyclohexyl)methanone is sourced from PubChem (CID 65425044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).