1-[2-[4-(4-butyl-2-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene

C33H37F3 — CID 77470391

IUPAC1-[2-[4-(4-butyl-2-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
SMILESCCCCc1ccc(-c2ccc(C=Cc3ccc(C4CCC(CCC)CC4)c(F)c3F)cc2)c(F)c1
InChIInChI=1S/C33H37F3/c1-3-5-7-25-13-20-29(31(34)22-25)26-14-10-24(11-15-26)12-18-28-19-21-30(33(36)32(28)35)27-16-8-23(6-4-2)9-17-27/h10-15,18-23,27H,3-9,16-17H2,1-2H3
InChIKeyYVFINOARMLXYSJ-UHFFFAOYSA-N
MW490.65 g/mol
LogP10.36
Rot. Bonds9

About 1-[2-[4-(4-butyl-2-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene

1-[2-[4-(4-butyl-2-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene (PubChem CID 77470391) has the molecular formula C33H37F3 and a molecular weight of 490.65 g/mol. Its IUPAC name is 1-[2-[4-(4-butyl-2-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name1-[2-[4-(4-butyl-2-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
PubChem CID77470391
Molecular FormulaC33H37F3
Molecular Weight490.65 g/mol
Exact Mass490.28
IUPAC Name1-[2-[4-(4-butyl-2-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
SMILESCCCCc1ccc(-c2ccc(C=Cc3ccc(C4CCC(CCC)CC4)c(F)c3F)cc2)c(F)c1
InChIInChI=1S/C33H37F3/c1-3-5-7-25-13-20-29(31(34)22-25)26-14-10-24(11-15-26)12-18-28-19-21-30(33(36)32(28)35)27-16-8-23(6-4-2)9-17-27/h10-15,18-23,27H,3-9,16-17H2,1-2H3
InChIKeyYVFINOARMLXYSJ-UHFFFAOYSA-N
XLogP10.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.65
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-1-[2-[4-(2-fluoro-4-pentylphenyl)cyclohexyl]ethenyl]-4-(4-propylcyclohexyl)benzene
CID 77470253
1-(4-butoxycyclohexyl)-4-[(E)-2-[4-(4-butoxy-2-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene
CID 89430021
2,3-difluoro-1-[4-[2-(3-fluoro-4-methylphenyl)ethenyl]phenyl]-4-(4-propylcyclohexyl)benzene
CID 77470859
1-[4-[2-(4-ethyl-3-fluorophenyl)ethenyl]phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 77470860
2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]benzene
CID 118858890
2,3-difluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 129065276
1-(4-ethoxycyclohexyl)-4-[(E)-2-[4-(4-ethoxy-2-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene
CID 89429966
1-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]-2-fluoro-4-(4-pentylcyclohexyl)benzene
CID 19906956
1-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 77470250
1-[(E)-2-[4-(4-but-3-enoxy-2-fluorophenyl)phenyl]ethenyl]-4-(4-butoxycyclohexyl)-2,3-difluorobenzene
CID 89429758
2-fluoro-1-[3-fluoro-4-(4-propylcyclohexyl)phenyl]-4-[4-[4-(3-methoxypropyl)cyclohexyl]butyl]benzene
CID 23297316
1-(4-butylcyclohexyl)-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 151687811

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-butyl-2-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 1-[2-[4-(4-butyl-2-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene (CID 77470391) is 1-[2-[4-(4-butyl-2-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 1-[2-[4-(4-butyl-2-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 1-[2-[4-(4-butyl-2-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene is CCCCc1ccc(-c2ccc(C=Cc3ccc(C4CCC(CCC)CC4)c(F)c3F)cc2)c(F)c1.
What is the InChIKey of 1-[2-[4-(4-butyl-2-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene?
The InChIKey is YVFINOARMLXYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37F3/c1-3-5-7-25-13-20-29(31(34)22-25)26-14-10-24(11-15-26)12-18-28-19-21-30(33(36)32(28)35)27-16-8-23(6-4-2)9-17-27/h10-15,18-23,27H,3-9,16-17H2,1-2H3.
What are the key properties of 1-[2-[4-(4-butyl-2-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene?
1-[2-[4-(4-butyl-2-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene has a molecular weight of 490.65 g/mol, XLogP of 10.36, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-butyl-2-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 77470391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).