1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene

C31H36ClF — CID 54325474

IUPAC1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene
SMILESCCCc1ccc(CCC2CCC(CCc3ccc(-c4ccc(Cl)cc4)c(F)c3)CC2)cc1
InChIInChI=1S/C31H36ClF/c1-2-3-23-4-6-24(7-5-23)8-9-25-10-12-26(13-11-25)14-15-27-16-21-30(31(33)22-27)28-17-19-29(32)20-18-28/h4-7,16-22,25-26H,2-3,8-15H2,1H3
InChIKeySUPHLDCMVPKETO-UHFFFAOYSA-N
MW463.08 g/mol
LogP9.47
Rot. Bonds9

About 1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene

1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene (PubChem CID 54325474) has the molecular formula C31H36ClF and a molecular weight of 463.08 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene
PubChem CID54325474
Molecular FormulaC31H36ClF
Molecular Weight463.08 g/mol
Exact Mass462.25
IUPAC Name1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene
SMILESCCCc1ccc(CCC2CCC(CCc3ccc(-c4ccc(Cl)cc4)c(F)c3)CC2)cc1
InChIInChI=1S/C31H36ClF/c1-2-3-23-4-6-24(7-5-23)8-9-25-10-12-26(13-11-25)14-15-27-16-21-30(31(33)22-27)28-17-19-29(32)20-18-28/h4-7,16-22,25-26H,2-3,8-15H2,1H3
InChIKeySUPHLDCMVPKETO-UHFFFAOYSA-N
XLogP9.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.08
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-hexylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54097147
2-fluoro-4-propyl-1-[4-[2-(4-prop-1-ynylcyclohexyl)ethyl]phenyl]benzene
CID 18653634
2-fluoro-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]-1-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzene
CID 54120723
2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-1-[4-(trifluoromethyl)phenyl]benzene
CID 54061362
1-chloro-2,3,5,6-tetradeuterio-4-[2-fluoro-4-[2-(4-pentylcyclohexyl)ethyl]phenyl]benzene
CID 139724343
5-[4-[2-[4-(4-butylphenyl)cyclohexyl]ethyl]-2-fluorophenyl]-2-chloro-1,3-difluorobenzene
CID 54435292
1-chloro-2-fluoro-4-[2-fluoro-4-[2-[4-(4-pentylphenyl)cyclohexyl]ethyl]phenyl]benzene
CID 54224272
2-[4-(2-fluoro-4-propylphenyl)phenyl]ethanol
CID 134432733
1,3-difluoro-5-[2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene-2-ide;yttrium(3+)
CID 18720734
2-fluoro-4-propyl-1-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]benzene
CID 67943668
4-[2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]cyclohexan-1-amine
CID 162565754
2-chloro-5-[4-[2-[4-(4-ethylphenyl)cyclohexyl]ethyl]-2-fluorophenyl]-1,3-difluorobenzene
CID 54266929

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene?
The IUPAC name of 1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene (CID 54325474) is 1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene.
What is the SMILES notation for 1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene?
The canonical SMILES for 1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene is CCCc1ccc(CCC2CCC(CCc3ccc(-c4ccc(Cl)cc4)c(F)c3)CC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene?
The InChIKey is SUPHLDCMVPKETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36ClF/c1-2-3-23-4-6-24(7-5-23)8-9-25-10-12-26(13-11-25)14-15-27-16-21-30(31(33)22-27)28-17-19-29(32)20-18-28/h4-7,16-22,25-26H,2-3,8-15H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene?
1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene has a molecular weight of 463.08 g/mol, XLogP of 9.47, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene is sourced from PubChem (CID 54325474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).