4-but-3-enyl-1-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-2-fluorobenzene

C24H28F2O — CID 139749265

IUPAC4-but-3-enyl-1-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-2-fluorobenzene
SMILESC=CCCc1ccc(-c2ccc(C3CCC(OCC)CC3)c(F)c2)c(F)c1
InChIInChI=1S/C24H28F2O/c1-3-5-6-17-7-13-22(23(25)15-17)19-10-14-21(24(26)16-19)18-8-11-20(12-9-18)27-4-2/h3,7,10,13-16,18,20H,1,4-6,8-9,11-12H2,2H3
InChIKeyUJFLHPSMOZWTBS-UHFFFAOYSA-N
MW370.48 g/mol
LogP6.81
Rot. Bonds7

About 4-but-3-enyl-1-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-2-fluorobenzene

4-but-3-enyl-1-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-2-fluorobenzene (PubChem CID 139749265) has the molecular formula C24H28F2O and a molecular weight of 370.48 g/mol. Its IUPAC name is 4-but-3-enyl-1-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-2-fluorobenzene.

Molecular Properties

Compound Name4-but-3-enyl-1-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-2-fluorobenzene
PubChem CID139749265
Molecular FormulaC24H28F2O
Molecular Weight370.48 g/mol
Exact Mass370.21
IUPAC Name4-but-3-enyl-1-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-2-fluorobenzene
SMILESC=CCCc1ccc(-c2ccc(C3CCC(OCC)CC3)c(F)c2)c(F)c1
InChIInChI=1S/C24H28F2O/c1-3-5-6-17-7-13-22(23(25)15-17)19-10-14-21(24(26)16-19)18-8-11-20(12-9-18)27-4-2/h3,7,10,13-16,18,20H,1,4-6,8-9,11-12H2,2H3
InChIKeyUJFLHPSMOZWTBS-UHFFFAOYSA-N
XLogP6.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.48
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-but-3-enyl-1-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-2-fluorobenzene 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

4-(4-but-3-enylphenyl)-2-fluoro-1-(4-pentoxycyclohexyl)benzene
CID 139749280
4-but-3-enyl-2-fluoro-1-[4-(4-propoxycyclohexyl)phenyl]benzene
CID 139749386
4-(4-but-3-enylphenyl)-1-(4-ethylcyclohexyl)-2-fluorobenzene
CID 139749384
1-but-3-enyl-2-fluoro-4-[2-fluoro-4-(4-propoxycyclohexyl)phenyl]benzene
CID 139749448
2-ethoxy-6-[2-fluoro-4-[4-[(E)-pent-3-enyl]phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139869719
2-fluoro-4-[4-[(E)-pent-3-enyl]phenyl]-1-(4-pentoxycyclohexyl)benzene
CID 139749316
1-but-3-enoxy-4-[[4-[4-(4-ethoxycyclohexyl)-2,3-difluorophenyl]phenyl]methoxy]-2,3-difluorobenzene
CID 89430565
1-(4-ethenylcyclohexyl)-2-fluoro-4-propylbenzene
CID 71422815
4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 118136047
1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylcyclohexyl)benzene
CID 139749319
1-(4-ethoxycyclohexyl)-2,3-difluoro-4-[4-[(3-fluoro-4-prop-2-enoxyphenyl)methoxy]phenyl]benzene
CID 89430512
1-[4-[(4-but-3-enoxy-3-fluorophenyl)methoxy]cyclohexyl]-4-(4-butoxyphenyl)-2,3-difluorobenzene
CID 89430764

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enyl-1-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-2-fluorobenzene?
The IUPAC name of 4-but-3-enyl-1-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-2-fluorobenzene (CID 139749265) is 4-but-3-enyl-1-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-2-fluorobenzene.
What is the SMILES notation for 4-but-3-enyl-1-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-2-fluorobenzene?
The canonical SMILES for 4-but-3-enyl-1-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-2-fluorobenzene is C=CCCc1ccc(-c2ccc(C3CCC(OCC)CC3)c(F)c2)c(F)c1.
What is the InChIKey of 4-but-3-enyl-1-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-2-fluorobenzene?
The InChIKey is UJFLHPSMOZWTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2O/c1-3-5-6-17-7-13-22(23(25)15-17)19-10-14-21(24(26)16-19)18-8-11-20(12-9-18)27-4-2/h3,7,10,13-16,18,20H,1,4-6,8-9,11-12H2,2H3.
What are the key properties of 4-but-3-enyl-1-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-2-fluorobenzene?
4-but-3-enyl-1-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-2-fluorobenzene has a molecular weight of 370.48 g/mol, XLogP of 6.81, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enyl-1-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-2-fluorobenzene is sourced from PubChem (CID 139749265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).