2-fluoro-4-[2-[4-(2-phenylpropyl)cyclohexyl]ethyl]-1-[(E)-2-(4-propylphenyl)ethenyl]benzene

C34H41F — CID 21052816

IUPAC2-fluoro-4-[2-[4-(2-phenylpropyl)cyclohexyl]ethyl]-1-[(E)-2-(4-propylphenyl)ethenyl]benzene
SMILESCCCc1ccc(/C=C/c2ccc(CCC3CCC(CC(C)c4ccccc4)CC3)cc2F)cc1
InChIInChI=1S/C34H41F/c1-3-7-27-10-12-29(13-11-27)20-22-33-23-21-31(25-34(33)35)19-16-28-14-17-30(18-15-28)24-26(2)32-8-5-4-6-9-32/h4-6,8-13,20-23,25-26,28,30H,3,7,14-19,24H2,1-2H3/b22-20+
InChIKeyANXZIVDWVKRXBC-LSDHQDQOSA-N
MW468.70 g/mol
LogP9.88
Rot. Bonds10

About 2-fluoro-4-[2-[4-(2-phenylpropyl)cyclohexyl]ethyl]-1-[(E)-2-(4-propylphenyl)ethenyl]benzene

2-fluoro-4-[2-[4-(2-phenylpropyl)cyclohexyl]ethyl]-1-[(E)-2-(4-propylphenyl)ethenyl]benzene (PubChem CID 21052816) has the molecular formula C34H41F and a molecular weight of 468.70 g/mol. Its IUPAC name is 2-fluoro-4-[2-[4-(2-phenylpropyl)cyclohexyl]ethyl]-1-[(E)-2-(4-propylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name2-fluoro-4-[2-[4-(2-phenylpropyl)cyclohexyl]ethyl]-1-[(E)-2-(4-propylphenyl)ethenyl]benzene
PubChem CID21052816
Molecular FormulaC34H41F
Molecular Weight468.70 g/mol
Exact Mass468.32
IUPAC Name2-fluoro-4-[2-[4-(2-phenylpropyl)cyclohexyl]ethyl]-1-[(E)-2-(4-propylphenyl)ethenyl]benzene
SMILESCCCc1ccc(/C=C/c2ccc(CCC3CCC(CC(C)c4ccccc4)CC3)cc2F)cc1
InChIInChI=1S/C34H41F/c1-3-7-27-10-12-29(13-11-27)20-22-33-23-21-31(25-34(33)35)19-16-28-14-17-30(18-15-28)24-26(2)32-8-5-4-6-9-32/h4-6,8-13,20-23,25-26,28,30H,3,7,14-19,24H2,1-2H3/b22-20+
InChIKeyANXZIVDWVKRXBC-LSDHQDQOSA-N
XLogP9.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.70
LogP ≤ 59.88
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-fluoro-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]benzene
CID 58699012
1-fluoro-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]ethenyl]benzene
CID 58698899
2-fluoro-1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 21052760
2-fluoro-1-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene
CID 58698548
2-fluoro-1-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 58698355
1,2-difluoro-4-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 58698776
2-fluoro-4-[2-(4-fluorophenyl)ethyl]-1-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]benzene;2-fluoro-1-[2-[4-[4-[(2S)-2-phenylpropyl]cyclohexyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene;4-[2-[3-fluoro-4-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]phenyl]ethyl]benzonitrile;2-fluoro-1-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 159266047
1,3-difluoro-5-[2-[4-[4-(2-phenylpropyl)cyclohexyl]cyclohexyl]ethyl]-2-propylbenzene
CID 21052521
2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene
CID 58698086
2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698539
2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene
CID 58698876
2-fluoro-1-[2-[4-(4-fluorophenyl)phenyl]ethenyl]-4-[4-[(2R)-2-phenylpropyl]phenyl]benzene;2-fluoro-4-(4-fluorophenyl)-1-[2-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]ethenyl]benzene;2-fluoro-1-[2-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]phenyl]ethenyl]-4-(4-propylphenyl)benzene;2-fluoro-4-[4-[(2R)-2-phenylpropyl]cyclohexyl]-1-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene;4-[3-fluoro-4-[2-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]ethenyl]phenyl]benzonitrile;4-[4-[2-[2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]ethenyl]phenyl]benzonitrile;2-fluoro-1-[2-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-(4-propylphenyl)benzene;2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene
CID 158295751

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-[4-(2-phenylpropyl)cyclohexyl]ethyl]-1-[(E)-2-(4-propylphenyl)ethenyl]benzene?
The IUPAC name of 2-fluoro-4-[2-[4-(2-phenylpropyl)cyclohexyl]ethyl]-1-[(E)-2-(4-propylphenyl)ethenyl]benzene (CID 21052816) is 2-fluoro-4-[2-[4-(2-phenylpropyl)cyclohexyl]ethyl]-1-[(E)-2-(4-propylphenyl)ethenyl]benzene.
What is the SMILES notation for 2-fluoro-4-[2-[4-(2-phenylpropyl)cyclohexyl]ethyl]-1-[(E)-2-(4-propylphenyl)ethenyl]benzene?
The canonical SMILES for 2-fluoro-4-[2-[4-(2-phenylpropyl)cyclohexyl]ethyl]-1-[(E)-2-(4-propylphenyl)ethenyl]benzene is CCCc1ccc(/C=C/c2ccc(CCC3CCC(CC(C)c4ccccc4)CC3)cc2F)cc1.
What is the InChIKey of 2-fluoro-4-[2-[4-(2-phenylpropyl)cyclohexyl]ethyl]-1-[(E)-2-(4-propylphenyl)ethenyl]benzene?
The InChIKey is ANXZIVDWVKRXBC-LSDHQDQOSA-N. The full InChI is InChI=1S/C34H41F/c1-3-7-27-10-12-29(13-11-27)20-22-33-23-21-31(25-34(33)35)19-16-28-14-17-30(18-15-28)24-26(2)32-8-5-4-6-9-32/h4-6,8-13,20-23,25-26,28,30H,3,7,14-19,24H2,1-2H3/b22-20+.
What are the key properties of 2-fluoro-4-[2-[4-(2-phenylpropyl)cyclohexyl]ethyl]-1-[(E)-2-(4-propylphenyl)ethenyl]benzene?
2-fluoro-4-[2-[4-(2-phenylpropyl)cyclohexyl]ethyl]-1-[(E)-2-(4-propylphenyl)ethenyl]benzene has a molecular weight of 468.70 g/mol, XLogP of 9.88, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-[4-(2-phenylpropyl)cyclohexyl]ethyl]-1-[(E)-2-(4-propylphenyl)ethenyl]benzene is sourced from PubChem (CID 21052816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).