1-[(E)-but-1-enyl]-4-[2-[4-(4-fluorocyclohexyl)phenyl]ethynyl]benzene

C24H25F — CID 139729983

IUPAC1-[(E)-but-1-enyl]-4-[2-[4-(4-fluorocyclohexyl)phenyl]ethynyl]benzene
SMILESCC/C=C/c1ccc(C#Cc2ccc(C3CCC(F)CC3)cc2)cc1
InChIInChI=1S/C24H25F/c1-2-3-4-19-5-7-20(8-6-19)9-10-21-11-13-22(14-12-21)23-15-17-24(25)18-16-23/h3-8,11-14,23-24H,2,15-18H2,1H3/b4-3+
InChIKeyOIYRXWMYFDKZNZ-ONEGZZNKSA-N
MW332.46 g/mol
LogP6.51
Rot. Bonds3

About 1-[(E)-but-1-enyl]-4-[2-[4-(4-fluorocyclohexyl)phenyl]ethynyl]benzene

1-[(E)-but-1-enyl]-4-[2-[4-(4-fluorocyclohexyl)phenyl]ethynyl]benzene (PubChem CID 139729983) has the molecular formula C24H25F and a molecular weight of 332.46 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]-4-[2-[4-(4-fluorocyclohexyl)phenyl]ethynyl]benzene.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]-4-[2-[4-(4-fluorocyclohexyl)phenyl]ethynyl]benzene
PubChem CID139729983
Molecular FormulaC24H25F
Molecular Weight332.46 g/mol
Exact Mass332.19
IUPAC Name1-[(E)-but-1-enyl]-4-[2-[4-(4-fluorocyclohexyl)phenyl]ethynyl]benzene
SMILESCC/C=C/c1ccc(C#Cc2ccc(C3CCC(F)CC3)cc2)cc1
InChIInChI=1S/C24H25F/c1-2-3-4-19-5-7-20(8-6-19)9-10-21-11-13-22(14-12-21)23-15-17-24(25)18-16-23/h3-8,11-14,23-24H,2,15-18H2,1H3/b4-3+
InChIKeyOIYRXWMYFDKZNZ-ONEGZZNKSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.46
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[(E)-but-1-enyl]-4-[2-[4-(4-fluorocyclohexyl)phenyl]ethynyl]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-[(E)-but-1-enyl]-4-[4-(4-fluorocyclohexyl)phenyl]benzene
CID 22123888
1-(4-fluorocyclohexyl)-4-[4-[(E)-pent-1-enyl]phenyl]benzene
CID 22123950
2-fluoro-1-[2-[4-(4-fluorocyclohexyl)phenyl]ethynyl]-4-[(E)-undec-1-enyl]benzene
CID 139730064
1-(4,4-difluorocyclohexyl)-4-[2-[4-[(E)-non-1-enyl]phenyl]ethynyl]benzene
CID 139730020
1-(4-fluorocyclohexyl)-4-[2-[4-(2-fluoropent-1-enyl)phenyl]ethyl]benzene
CID 70184930
1-[(E)-but-1-enyl]-4-[2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]ethynyl]benzene
CID 139787862
1-[(E)-but-1-enyl]-4-[2-(4-propylcyclohexyl)ethynyl]benzene
CID 139750856
4-[4-[(Z)-but-1-enyl]cyclohexyl]benzonitrile
CID 67925507
1-[(E)-but-1-enyl]-4-[4-(4-ethylphenyl)buta-1,3-diynyl]benzene
CID 101248325
3-(4-cyclopropylphenyl)-N-propan-2-ylprop-2-en-1-amine
CID 79977685
1-(2-iodoethynyl)-4-(4-propylcyclohexyl)benzene
CID 22123958
1-fluoro-4-(4-fluorocyclohexyl)benzene
CID 23539867

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enyl]-4-[2-[4-(4-fluorocyclohexyl)phenyl]ethynyl]benzene?
The IUPAC name of 1-[(E)-but-1-enyl]-4-[2-[4-(4-fluorocyclohexyl)phenyl]ethynyl]benzene (CID 139729983) is 1-[(E)-but-1-enyl]-4-[2-[4-(4-fluorocyclohexyl)phenyl]ethynyl]benzene.
What is the SMILES notation for 1-[(E)-but-1-enyl]-4-[2-[4-(4-fluorocyclohexyl)phenyl]ethynyl]benzene?
The canonical SMILES for 1-[(E)-but-1-enyl]-4-[2-[4-(4-fluorocyclohexyl)phenyl]ethynyl]benzene is CC/C=C/c1ccc(C#Cc2ccc(C3CCC(F)CC3)cc2)cc1.
What is the InChIKey of 1-[(E)-but-1-enyl]-4-[2-[4-(4-fluorocyclohexyl)phenyl]ethynyl]benzene?
The InChIKey is OIYRXWMYFDKZNZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C24H25F/c1-2-3-4-19-5-7-20(8-6-19)9-10-21-11-13-22(14-12-21)23-15-17-24(25)18-16-23/h3-8,11-14,23-24H,2,15-18H2,1H3/b4-3+.
What are the key properties of 1-[(E)-but-1-enyl]-4-[2-[4-(4-fluorocyclohexyl)phenyl]ethynyl]benzene?
1-[(E)-but-1-enyl]-4-[2-[4-(4-fluorocyclohexyl)phenyl]ethynyl]benzene has a molecular weight of 332.46 g/mol, XLogP of 6.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enyl]-4-[2-[4-(4-fluorocyclohexyl)phenyl]ethynyl]benzene is sourced from PubChem (CID 139729983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).