4-(4-but-2-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene

C23H21F — CID 59307258

IUPAC4-(4-but-2-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene
SMILESCC=CCc1ccc(-c2ccc(-c3ccc(C)cc3)c(F)c2)cc1
InChIInChI=1S/C23H21F/c1-3-4-5-18-8-12-19(13-9-18)21-14-15-22(23(24)16-21)20-10-6-17(2)7-11-20/h3-4,6-16H,5H2,1-2H3
InChIKeyUGUSUKQVEBKNDX-UHFFFAOYSA-N
MW316.42 g/mol
LogP6.59
Rot. Bonds4

About 4-(4-but-2-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene

4-(4-but-2-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene (PubChem CID 59307258) has the molecular formula C23H21F and a molecular weight of 316.42 g/mol. Its IUPAC name is 4-(4-but-2-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene.

Molecular Properties

Compound Name4-(4-but-2-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene
PubChem CID59307258
Molecular FormulaC23H21F
Molecular Weight316.42 g/mol
Exact Mass316.16
IUPAC Name4-(4-but-2-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene
SMILESCC=CCc1ccc(-c2ccc(-c3ccc(C)cc3)c(F)c2)cc1
InChIInChI=1S/C23H21F/c1-3-4-5-18-8-12-19(13-9-18)21-14-15-22(23(24)16-21)20-10-6-17(2)7-11-20/h3-4,6-16H,5H2,1-2H3
InChIKeyUGUSUKQVEBKNDX-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.42
LogP ≤ 56.59
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

1-(4-but-2-enylphenyl)-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane
CID 158452462
4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-methyl-4-[4-[(E)-pent-3-enyl]phenyl]benzene
CID 144644200
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
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane
CID 161341950
1-(4-ethylphenyl)-2-fluoro-4-(4-pent-3-enylphenyl)benzene
CID 76678385
4-[3-fluoro-4-[4-[(E)-pent-3-enyl]phenyl]phenyl]benzenethiol
CID 129130534
1,3-difluoro-2-(fluoromethyl)-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 59557505
2-fluoro-1-(4-iodophenyl)-4-(4-methylphenyl)benzene
CID 130468833
1-methyl-4-[4-[(2Z,6Z)-octa-2,6-dienyl]phenyl]benzene
CID 59812345
2-fluoro-4-methyl-1-[4-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]phenyl]benzene
CID 139764838
1-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene
CID 169027138
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 158177832

Frequently Asked Questions

What is the IUPAC name of 4-(4-but-2-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene?
The IUPAC name of 4-(4-but-2-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene (CID 59307258) is 4-(4-but-2-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene.
What is the SMILES notation for 4-(4-but-2-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene?
The canonical SMILES for 4-(4-but-2-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene is CC=CCc1ccc(-c2ccc(-c3ccc(C)cc3)c(F)c2)cc1.
What is the InChIKey of 4-(4-but-2-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene?
The InChIKey is UGUSUKQVEBKNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F/c1-3-4-5-18-8-12-19(13-9-18)21-14-15-22(23(24)16-21)20-10-6-17(2)7-11-20/h3-4,6-16H,5H2,1-2H3.
What are the key properties of 4-(4-but-2-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene?
4-(4-but-2-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene has a molecular weight of 316.42 g/mol, XLogP of 6.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-but-2-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene is sourced from PubChem (CID 59307258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).