1-cyclopentyl-2-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]cyclohexyl]ethanone

C26H30F2O — CID 59794718

IUPAC1-cyclopentyl-2-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]cyclohexyl]ethanone
SMILESCc1c(F)cc(-c2ccc(C3CCC(CC(=O)C4CCCC4)CC3)cc2)cc1F
InChIInChI=1S/C26H30F2O/c1-17-24(27)15-23(16-25(17)28)21-12-10-20(11-13-21)19-8-6-18(7-9-19)14-26(29)22-4-2-3-5-22/h10-13,15-16,18-19,22H,2-9,14H2,1H3
InChIKeySCDVMYSUSVRROS-UHFFFAOYSA-N
MW396.52 g/mol
LogP7.36
Rot. Bonds5

About 1-cyclopentyl-2-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]cyclohexyl]ethanone

1-cyclopentyl-2-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]cyclohexyl]ethanone (PubChem CID 59794718) has the molecular formula C26H30F2O and a molecular weight of 396.52 g/mol. Its IUPAC name is 1-cyclopentyl-2-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]cyclohexyl]ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]cyclohexyl]ethanone
PubChem CID59794718
Molecular FormulaC26H30F2O
Molecular Weight396.52 g/mol
Exact Mass396.23
IUPAC Name1-cyclopentyl-2-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]cyclohexyl]ethanone
SMILESCc1c(F)cc(-c2ccc(C3CCC(CC(=O)C4CCCC4)CC3)cc2)cc1F
InChIInChI=1S/C26H30F2O/c1-17-24(27)15-23(16-25(17)28)21-12-10-20(11-13-21)19-8-6-18(7-9-19)14-26(29)22-4-2-3-5-22/h10-13,15-16,18-19,22H,2-9,14H2,1H3
InChIKeySCDVMYSUSVRROS-UHFFFAOYSA-N
XLogP7.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.52
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[4-[4-(2-cyclopentylethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene
CID 67685950
5-[4-[4-(cyclopentylmethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene
CID 67686334
[4-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]phenyl]cyclohexyl]methylsilane
CID 123233909
5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]phenyl]-1,3-difluoro-2-methylbenzene
CID 134236125
1,2,3-trifluoro-5-[4-[4-(fluoromethyl)cyclohexyl]phenyl]benzene
CID 59938749
1-fluoro-2,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 143209910
2-[(3,5-difluoro-4-methylphenoxy)methyl]-1,3-difluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene
CID 145013180
N-(4-chloro-2-fluorophenyl)-2-[4-(4-methylphenyl)cyclohexyl]acetamide
CID 160996728
1-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethanone
CID 142331736
2-[4-[4-[3-fluoro-4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-5-methylphenyl]phenyl]cyclohexyl]acetic acid
CID 123955724
1,3-difluoro-5-[4-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]phenyl]-2-(trifluoromethyl)benzene
CID 163936290
[4-[4-(4-methylphenyl)phenyl]cyclohexyl]methylsilane
CID 123942923

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]cyclohexyl]ethanone?
The IUPAC name of 1-cyclopentyl-2-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]cyclohexyl]ethanone (CID 59794718) is 1-cyclopentyl-2-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]cyclohexyl]ethanone.
What is the SMILES notation for 1-cyclopentyl-2-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]cyclohexyl]ethanone?
The canonical SMILES for 1-cyclopentyl-2-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]cyclohexyl]ethanone is Cc1c(F)cc(-c2ccc(C3CCC(CC(=O)C4CCCC4)CC3)cc2)cc1F.
What is the InChIKey of 1-cyclopentyl-2-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]cyclohexyl]ethanone?
The InChIKey is SCDVMYSUSVRROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2O/c1-17-24(27)15-23(16-25(17)28)21-12-10-20(11-13-21)19-8-6-18(7-9-19)14-26(29)22-4-2-3-5-22/h10-13,15-16,18-19,22H,2-9,14H2,1H3.
What are the key properties of 1-cyclopentyl-2-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]cyclohexyl]ethanone?
1-cyclopentyl-2-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]cyclohexyl]ethanone has a molecular weight of 396.52 g/mol, XLogP of 7.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]cyclohexyl]ethanone is sourced from PubChem (CID 59794718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).