2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-difluoro-5-propylbenzene

C27H28F2 — CID 118528142

IUPAC2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-difluoro-5-propylbenzene
SMILESCCCCc1ccc(-c2ccc(C=Cc3c(F)cc(CCC)cc3F)cc2)cc1
InChIInChI=1S/C27H28F2/c1-3-5-7-20-8-13-23(14-9-20)24-15-10-21(11-16-24)12-17-25-26(28)18-22(6-4-2)19-27(25)29/h8-19H,3-7H2,1-2H3
InChIKeyVBHFTUMMQUPJDR-UHFFFAOYSA-N
MW390.52 g/mol
LogP8.10
Rot. Bonds8

About 2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-difluoro-5-propylbenzene

2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-difluoro-5-propylbenzene (PubChem CID 118528142) has the molecular formula C27H28F2 and a molecular weight of 390.52 g/mol. Its IUPAC name is 2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-difluoro-5-propylbenzene.

Molecular Properties

Compound Name2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-difluoro-5-propylbenzene
PubChem CID118528142
Molecular FormulaC27H28F2
Molecular Weight390.52 g/mol
Exact Mass390.22
IUPAC Name2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-difluoro-5-propylbenzene
SMILESCCCCc1ccc(-c2ccc(C=Cc3c(F)cc(CCC)cc3F)cc2)cc1
InChIInChI=1S/C27H28F2/c1-3-5-7-20-8-13-23(14-9-20)24-15-10-21(11-16-24)12-17-25-26(28)18-22(6-4-2)19-27(25)29/h8-19H,3-7H2,1-2H3
InChIKeyVBHFTUMMQUPJDR-UHFFFAOYSA-N
XLogP8.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.52
LogP ≤ 58.10
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

3,4-difluoro-1-methyl-5-(4-pentylphenyl)-2-[(E)-2-(4-propylphenyl)ethenyl]benzene
CID 59592220
1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene
CID 71422219
5-butan-2-yl-2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-dimethylbenzene
CID 54225098
1-butyl-4-[(E)-2-phenylethenyl]benzene
CID 100931442
2,6-difluoro-4-(4-propylphenyl)benzaldehyde
CID 22561373
1,3-difluoro-5-[4-[4-[(E)-pent-1-enyl]phenyl]butyl]-2-propylbenzene
CID 22991673
2-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]-1,3-difluoro-5-(4-pentylphenyl)benzene
CID 59247083
1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 161123973
5-[4-[4-(4-butylphenyl)phenyl]phenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethylphenyl)phenyl]phenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;1,2,3-trifluoro-5-[4-[4-(4-propylphenyl)phenyl]phenyl]benzene
CID 157287017
2-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]-1,3-difluoro-5-(4-heptylphenyl)benzene
CID 59247155
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
1-butyl-4-[2-[4-[4-[2-(4-butylphenyl)ethenyl]phenyl]sulfanylphenyl]ethenyl]benzene
CID 72543235

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-difluoro-5-propylbenzene?
The IUPAC name of 2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-difluoro-5-propylbenzene (CID 118528142) is 2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-difluoro-5-propylbenzene.
What is the SMILES notation for 2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-difluoro-5-propylbenzene?
The canonical SMILES for 2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-difluoro-5-propylbenzene is CCCCc1ccc(-c2ccc(C=Cc3c(F)cc(CCC)cc3F)cc2)cc1.
What is the InChIKey of 2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-difluoro-5-propylbenzene?
The InChIKey is VBHFTUMMQUPJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2/c1-3-5-7-20-8-13-23(14-9-20)24-15-10-21(11-16-24)12-17-25-26(28)18-22(6-4-2)19-27(25)29/h8-19H,3-7H2,1-2H3.
What are the key properties of 2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-difluoro-5-propylbenzene?
2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-difluoro-5-propylbenzene has a molecular weight of 390.52 g/mol, XLogP of 8.10, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-difluoro-5-propylbenzene is sourced from PubChem (CID 118528142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).