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

C34H42ClF — CID 54097147

IUPAC1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-hexylphenyl)ethyl]cyclohexyl]ethyl]benzene
SMILESCCCCCCc1ccc(CCC2CCC(CCc3ccc(-c4ccc(Cl)cc4)c(F)c3)CC2)cc1
InChIInChI=1S/C34H42ClF/c1-2-3-4-5-6-26-7-9-27(10-8-26)11-12-28-13-15-29(16-14-28)17-18-30-19-24-33(34(36)25-30)31-20-22-32(35)23-21-31/h7-10,19-25,28-29H,2-6,11-18H2,1H3
InChIKeyMXXOFLAFLGDWJZ-UHFFFAOYSA-N
MW505.16 g/mol
LogP10.64
Rot. Bonds12

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

1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-hexylphenyl)ethyl]cyclohexyl]ethyl]benzene (PubChem CID 54097147) has the molecular formula C34H42ClF and a molecular weight of 505.16 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-hexylphenyl)ethyl]cyclohexyl]ethyl]benzene.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-hexylphenyl)ethyl]cyclohexyl]ethyl]benzene
PubChem CID54097147
Molecular FormulaC34H42ClF
Molecular Weight505.16 g/mol
Exact Mass504.30
IUPAC Name1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-hexylphenyl)ethyl]cyclohexyl]ethyl]benzene
SMILESCCCCCCc1ccc(CCC2CCC(CCc3ccc(-c4ccc(Cl)cc4)c(F)c3)CC2)cc1
InChIInChI=1S/C34H42ClF/c1-2-3-4-5-6-26-7-9-27(10-8-26)11-12-28-13-15-29(16-14-28)17-18-30-19-24-33(34(36)25-30)31-20-22-32(35)23-21-31/h7-10,19-25,28-29H,2-6,11-18H2,1H3
InChIKeyMXXOFLAFLGDWJZ-UHFFFAOYSA-N
XLogP10.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.16
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54325474
1-chloro-2-fluoro-4-[2-fluoro-4-[2-[4-(4-pentylphenyl)cyclohexyl]ethyl]phenyl]benzene
CID 54224272
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944
1-chloro-2,3,5,6-tetradeuterio-4-[2-fluoro-4-[2-(4-pentylcyclohexyl)ethyl]phenyl]benzene
CID 139724343
1-chloro-4-[4-[2-[4-(4-nonylphenyl)cyclohexyl]ethyl]phenyl]benzene
CID 54067509
2-(4-chloro-3-fluorophenyl)-1,3-difluoro-5-[2-[4-[2-(4-heptylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54363230
4-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913
5-[4-[2-[4-(4-butylphenyl)cyclohexyl]ethyl]-2-fluorophenyl]-2-chloro-1,3-difluorobenzene
CID 54435292
1-chloro-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965949
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
2-[2-fluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-pentylpyridine
CID 57072579

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-hexylphenyl)ethyl]cyclohexyl]ethyl]benzene?
The IUPAC name of 1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-hexylphenyl)ethyl]cyclohexyl]ethyl]benzene (CID 54097147) is 1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-hexylphenyl)ethyl]cyclohexyl]ethyl]benzene.
What is the SMILES notation for 1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-hexylphenyl)ethyl]cyclohexyl]ethyl]benzene?
The canonical SMILES for 1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-hexylphenyl)ethyl]cyclohexyl]ethyl]benzene is CCCCCCc1ccc(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-hexylphenyl)ethyl]cyclohexyl]ethyl]benzene?
The InChIKey is MXXOFLAFLGDWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42ClF/c1-2-3-4-5-6-26-7-9-27(10-8-26)11-12-28-13-15-29(16-14-28)17-18-30-19-24-33(34(36)25-30)31-20-22-32(35)23-21-31/h7-10,19-25,28-29H,2-6,11-18H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-hexylphenyl)ethyl]cyclohexyl]ethyl]benzene?
1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-hexylphenyl)ethyl]cyclohexyl]ethyl]benzene has a molecular weight of 505.16 g/mol, XLogP of 10.64, 12 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-hexylphenyl)ethyl]cyclohexyl]ethyl]benzene is sourced from PubChem (CID 54097147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).