4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene

C25H25F — CID 118136047

IUPAC4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
SMILESC=CCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)c(F)c2)cc1
InChIInChI=1S/C25H25F/c1-3-5-7-20-8-12-21(13-9-20)23-16-17-24(25(26)18-23)22-14-10-19(6-4-2)11-15-22/h3,8-18H,1,4-7H2,2H3
InChIKeyXAEHMNBWHOONTR-UHFFFAOYSA-N
MW344.47 g/mol
LogP7.23
Rot. Bonds7

About 4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene

4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene (PubChem CID 118136047) has the molecular formula C25H25F and a molecular weight of 344.47 g/mol. Its IUPAC name is 4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene.

Molecular Properties

Compound Name4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
PubChem CID118136047
Molecular FormulaC25H25F
Molecular Weight344.47 g/mol
Exact Mass344.19
IUPAC Name4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
SMILESC=CCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)c(F)c2)cc1
InChIInChI=1S/C25H25F/c1-3-5-7-20-8-12-21(13-9-20)23-16-17-24(25(26)18-23)22-14-10-19(6-4-2)11-15-22/h3,8-18H,1,4-7H2,2H3
InChIKeyXAEHMNBWHOONTR-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.47
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(4-but-3-enylphenyl)-2-fluorophenyl]-2-chloro-1,3-difluorobenzene
CID 59207606
1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-but-3-enylphenyl)-1-(4-ethylphenyl)-2-fluorobenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylphenyl)benzene;4-(4-but-3-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]benzene
CID 161078313
1-(4-but-3-enylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylphenyl)benzene;1-(4-but-3-enylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;2-fluoro-4-(4-methylphenyl)-1-[4-[(E)-pent-3-enyl]phenyl]benzene;2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]-4-(4-propylphenyl)benzene;methane
CID 158373412
2-fluoro-4-[3-fluoro-4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 59547087
fluoromethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 161382729
ethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 144658313
1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 161123973
4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-methyl-4-[4-[(E)-pent-3-enyl]phenyl]benzene
CID 144644200
2,6-difluoro-4-[2-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]aniline
CID 134427958
1-(4-but-3-enylphenyl)-N-[[4-(4-butylphenyl)-3-fluorophenyl]methylideneamino]methanimine
CID 54260600
1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene
CID 167612803
1-(4-ethylphenyl)-2-fluoro-4-(4-pent-3-enylphenyl)benzene
CID 76678385

Frequently Asked Questions

What is the IUPAC name of 4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene?
The IUPAC name of 4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene (CID 118136047) is 4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene.
What is the SMILES notation for 4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene?
The canonical SMILES for 4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene is C=CCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)c(F)c2)cc1.
What is the InChIKey of 4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene?
The InChIKey is XAEHMNBWHOONTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F/c1-3-5-7-20-8-12-21(13-9-20)23-16-17-24(25(26)18-23)22-14-10-19(6-4-2)11-15-22/h3,8-18H,1,4-7H2,2H3.
What are the key properties of 4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene?
4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene has a molecular weight of 344.47 g/mol, XLogP of 7.23, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene is sourced from PubChem (CID 118136047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).