1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene

C27H28F2 — CID 129065279

IUPAC1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
SMILESCCc1ccc(-c2ccc(-c3ccc(C4CCC(C)CC4)c(F)c3F)cc2)cc1
InChIInChI=1S/C27H28F2/c1-3-19-6-10-20(11-7-19)21-12-14-23(15-13-21)25-17-16-24(26(28)27(25)29)22-8-4-18(2)5-9-22/h6-7,10-18,22H,3-5,8-9H2,1-2H3
InChIKeyKYYPVRKIRSKMEZ-UHFFFAOYSA-N
MW390.52 g/mol
LogP8.15
Rot. Bonds4

About 1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene

1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene (PubChem CID 129065279) has the molecular formula C27H28F2 and a molecular weight of 390.52 g/mol. Its IUPAC name is 1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene.

Molecular Properties

Compound Name1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
PubChem CID129065279
Molecular FormulaC27H28F2
Molecular Weight390.52 g/mol
Exact Mass390.22
IUPAC Name1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
SMILESCCc1ccc(-c2ccc(-c3ccc(C4CCC(C)CC4)c(F)c3F)cc2)cc1
InChIInChI=1S/C27H28F2/c1-3-19-6-10-20(11-7-19)21-12-14-23(15-13-21)25-17-16-24(26(28)27(25)29)22-8-4-18(2)5-9-22/h6-7,10-18,22H,3-5,8-9H2,1-2H3
InChIKeyKYYPVRKIRSKMEZ-UHFFFAOYSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.52
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-but-3-enylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 139749327
1-butyl-4-[4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-2,3-difluorobenzene
CID 70820686
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene
CID 157170192
2,3-difluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 129065276
1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene
CID 143772392
[4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-(4-ethyl-2-fluorophenoxy)methanol
CID 143908669
1-(4-cyclohexylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 126693080
2,3-difluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylcyclohexyl)benzene
CID 58987197
2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 129065275
1-[4-[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phenyl]-2,3-difluoro-4-octylbenzene
CID 143772982
1-[4-(2,3-difluoro-4-hexylphenyl)phenyl]-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 143773014
1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 143909052

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene?
The IUPAC name of 1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene (CID 129065279) is 1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene.
What is the SMILES notation for 1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene?
The canonical SMILES for 1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene is CCc1ccc(-c2ccc(-c3ccc(C4CCC(C)CC4)c(F)c3F)cc2)cc1.
What is the InChIKey of 1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene?
The InChIKey is KYYPVRKIRSKMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2/c1-3-19-6-10-20(11-7-19)21-12-14-23(15-13-21)25-17-16-24(26(28)27(25)29)22-8-4-18(2)5-9-22/h6-7,10-18,22H,3-5,8-9H2,1-2H3.
What are the key properties of 1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene?
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene has a molecular weight of 390.52 g/mol, XLogP of 8.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene is sourced from PubChem (CID 129065279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).