[2-[cycloheptyl(phenyl)methyl]phenyl]-phenylmethanone

C27H28O — CID 13431966

IUPAC[2-[cycloheptyl(phenyl)methyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1C(c1ccccc1)C1CCCCCC1
InChIInChI=1S/C27H28O/c28-27(23-17-9-4-10-18-23)25-20-12-11-19-24(25)26(22-15-7-3-8-16-22)21-13-5-1-2-6-14-21/h3-4,7-12,15-21,26H,1-2,5-6,13-14H2
InChIKeyUFFGRAWCUFJFPZ-UHFFFAOYSA-N
MW368.52 g/mol
LogP7.02
Rot. Bonds5

About [2-[cycloheptyl(phenyl)methyl]phenyl]-phenylmethanone

[2-[cycloheptyl(phenyl)methyl]phenyl]-phenylmethanone (PubChem CID 13431966) has the molecular formula C27H28O and a molecular weight of 368.52 g/mol. Its IUPAC name is [2-[cycloheptyl(phenyl)methyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[cycloheptyl(phenyl)methyl]phenyl]-phenylmethanone
PubChem CID13431966
Molecular FormulaC27H28O
Molecular Weight368.52 g/mol
Exact Mass368.21
IUPAC Name[2-[cycloheptyl(phenyl)methyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1C(c1ccccc1)C1CCCCCC1
InChIInChI=1S/C27H28O/c28-27(23-17-9-4-10-18-23)25-20-12-11-19-24(25)26(22-15-7-3-8-16-22)21-13-5-1-2-6-14-21/h3-4,7-12,15-21,26H,1-2,5-6,13-14H2
InChIKeyUFFGRAWCUFJFPZ-UHFFFAOYSA-N
XLogP7.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-cyclohexylphenyl)-phenylmethanone
CID 22506424
2-(1-cyclohexylethyl)benzoic acid
CID 115038988
2-cycloheptyl-1-phenylpropan-1-one
CID 104844954
3-(2-benzoylphenyl)butan-2-one
CID 69061840
2-[2-(cycloheptylamino)-2-oxo-1-phenylethyl]benzamide
CID 68907898
(2-dicyclohexylphosphanylphenyl)-phenylmethanone
CID 53411822
(2R)-3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 134997515
(2-butan-2-ylphenyl)-phenylmethanone;hydrochloride
CID 23128537
(2R)-2-cyclohexyl-2-phenylacetate
CID 6931336
(R)-cycloheptyl(phenyl)methanol
CID 94502427
1-(2-benzhydrylphenyl)-2-phenylethane-1,2-dione
CID 159953362
(2-methyl-3-propan-2-ylphenyl)-phenylmethanone
CID 123852812

Frequently Asked Questions

What is the IUPAC name of [2-[cycloheptyl(phenyl)methyl]phenyl]-phenylmethanone?
The IUPAC name of [2-[cycloheptyl(phenyl)methyl]phenyl]-phenylmethanone (CID 13431966) is [2-[cycloheptyl(phenyl)methyl]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[cycloheptyl(phenyl)methyl]phenyl]-phenylmethanone?
The canonical SMILES for [2-[cycloheptyl(phenyl)methyl]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccccc1C(c1ccccc1)C1CCCCCC1.
What is the InChIKey of [2-[cycloheptyl(phenyl)methyl]phenyl]-phenylmethanone?
The InChIKey is UFFGRAWCUFJFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28O/c28-27(23-17-9-4-10-18-23)25-20-12-11-19-24(25)26(22-15-7-3-8-16-22)21-13-5-1-2-6-14-21/h3-4,7-12,15-21,26H,1-2,5-6,13-14H2.
What are the key properties of [2-[cycloheptyl(phenyl)methyl]phenyl]-phenylmethanone?
[2-[cycloheptyl(phenyl)methyl]phenyl]-phenylmethanone has a molecular weight of 368.52 g/mol, XLogP of 7.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cycloheptyl(phenyl)methyl]phenyl]-phenylmethanone is sourced from PubChem (CID 13431966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).