1-fluoro-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene

C23H21F — CID 174351857

IUPAC1-fluoro-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene
SMILESCc1cccc(C=CCC(c2ccccc2)c2ccc(F)cc2)c1
InChIInChI=1S/C23H21F/c1-18-7-5-8-19(17-18)9-6-12-23(20-10-3-2-4-11-20)21-13-15-22(24)16-14-21/h2-11,13-17,23H,12H2,1H3
InChIKeyNUSZMVOFAOJKJM-UHFFFAOYSA-N
MW316.42 g/mol
LogP6.37
Rot. Bonds5

About 1-fluoro-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene

1-fluoro-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene (PubChem CID 174351857) has the molecular formula C23H21F and a molecular weight of 316.42 g/mol. Its IUPAC name is 1-fluoro-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene
PubChem CID174351857
Molecular FormulaC23H21F
Molecular Weight316.42 g/mol
Exact Mass316.16
IUPAC Name1-fluoro-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene
SMILESCc1cccc(C=CCC(c2ccccc2)c2ccc(F)cc2)c1
InChIInChI=1S/C23H21F/c1-18-7-5-8-19(17-18)9-6-12-23(20-10-3-2-4-11-20)21-13-15-22(24)16-14-21/h2-11,13-17,23H,12H2,1H3
InChIKeyNUSZMVOFAOJKJM-UHFFFAOYSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.42
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-fluoro-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dimethyl-5-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene
CID 174294452
1-ethyl-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene
CID 174285880
[3-[4-(3-methylphenyl)-1-phenylbut-3-enyl]phenyl]methanamine
CID 174283002
1-fluoro-4-[2-(3-methylphenyl)ethenyl]benzene
CID 91179639
1-methyl-3-[(E)-4-phenylbut-1-enyl]benzene
CID 102140920
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
(3S)-3-(4-fluorophenyl)-3-(3-methylphenyl)propanoic acid
CID 42073733
(E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide
CID 9410111
1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene
CID 15662681
[(E,2R)-5-phenylpent-4-en-2-yl]benzene
CID 102293607
1-methyl-3-pent-1-enylbenzene
CID 54093666
1-[(4-fluorophenyl)-(4-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 59781381

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene?
The IUPAC name of 1-fluoro-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene (CID 174351857) is 1-fluoro-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene.
What is the SMILES notation for 1-fluoro-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene?
The canonical SMILES for 1-fluoro-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene is Cc1cccc(C=CCC(c2ccccc2)c2ccc(F)cc2)c1.
What is the InChIKey of 1-fluoro-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene?
The InChIKey is NUSZMVOFAOJKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F/c1-18-7-5-8-19(17-18)9-6-12-23(20-10-3-2-4-11-20)21-13-15-22(24)16-14-21/h2-11,13-17,23H,12H2,1H3.
What are the key properties of 1-fluoro-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene?
1-fluoro-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene has a molecular weight of 316.42 g/mol, XLogP of 6.37, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[4-(3-methylphenyl)-1-phenylbut-3-enyl]benzene is sourced from PubChem (CID 174351857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).