1-cycloheptyl-3-naphthalen-2-ylpropan-2-one

C20H24O — CID 114458055

IUPAC1-cycloheptyl-3-naphthalen-2-ylpropan-2-one
SMILESO=C(Cc1ccc2ccccc2c1)CC1CCCCCC1
InChIInChI=1S/C20H24O/c21-20(14-16-7-3-1-2-4-8-16)15-17-11-12-18-9-5-6-10-19(18)13-17/h5-6,9-13,16H,1-4,7-8,14-15H2
InChIKeyKMWAZJSFWNXDHP-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.31
Rot. Bonds4

About 1-cycloheptyl-3-naphthalen-2-ylpropan-2-one

1-cycloheptyl-3-naphthalen-2-ylpropan-2-one (PubChem CID 114458055) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-cycloheptyl-3-naphthalen-2-ylpropan-2-one.

Molecular Properties

Compound Name1-cycloheptyl-3-naphthalen-2-ylpropan-2-one
PubChem CID114458055
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name1-cycloheptyl-3-naphthalen-2-ylpropan-2-one
SMILESO=C(Cc1ccc2ccccc2c1)CC1CCCCCC1
InChIInChI=1S/C20H24O/c21-20(14-16-7-3-1-2-4-8-16)15-17-11-12-18-9-5-6-10-19(18)13-17/h5-6,9-13,16H,1-4,7-8,14-15H2
InChIKeyKMWAZJSFWNXDHP-UHFFFAOYSA-N
XLogP5.31
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 ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclooctyl-2-naphthalen-2-ylethanone
CID 65018574
1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one
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1-(3-chlorophenyl)-3-cyclopentylpropan-2-one
CID 62504262
1-cyclopentyl-3-naphthalen-1-ylpropan-2-one
CID 61055471
1-(4-aminophenyl)-3-cyclopentylpropan-2-one
CID 116549551
N-[(1R,2R)-2-hydroxycyclohexyl]-2-naphthalen-2-ylacetamide
CID 104927093
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-(3-naphthalen-2-yl-2-oxopropyl)cyclohexyl]methyl]imidazol-4-one
CID 58425320
1-[2-(aminomethyl)phenyl]-3-cyclohexylpropan-2-one
CID 116596015
N-cyclopentyl-3-hydroxy-2-[(2-naphthalen-2-ylacetyl)amino]propanamide
CID 3602543
1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one
CID 90865264
1-cyclohexyl-3-(furan-3-yl)propan-2-one
CID 115795908
1-O-(cyclohexylmethyl) 5-O-(naphthalen-2-ylmethyl) pentanedioate
CID 91717151

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-naphthalen-2-ylpropan-2-one?
The IUPAC name of 1-cycloheptyl-3-naphthalen-2-ylpropan-2-one (CID 114458055) is 1-cycloheptyl-3-naphthalen-2-ylpropan-2-one.
What is the SMILES notation for 1-cycloheptyl-3-naphthalen-2-ylpropan-2-one?
The canonical SMILES for 1-cycloheptyl-3-naphthalen-2-ylpropan-2-one is O=C(Cc1ccc2ccccc2c1)CC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-naphthalen-2-ylpropan-2-one?
The InChIKey is KMWAZJSFWNXDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c21-20(14-16-7-3-1-2-4-8-16)15-17-11-12-18-9-5-6-10-19(18)13-17/h5-6,9-13,16H,1-4,7-8,14-15H2.
What are the key properties of 1-cycloheptyl-3-naphthalen-2-ylpropan-2-one?
1-cycloheptyl-3-naphthalen-2-ylpropan-2-one has a molecular weight of 280.41 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-naphthalen-2-ylpropan-2-one is sourced from PubChem (CID 114458055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).