4-(4-but-3-enylphenyl)-1-(4-ethylcyclohexyl)-2-fluorobenzene

C24H29F — CID 139749384

IUPAC4-(4-but-3-enylphenyl)-1-(4-ethylcyclohexyl)-2-fluorobenzene
SMILESC=CCCc1ccc(-c2ccc(C3CCC(CC)CC3)c(F)c2)cc1
InChIInChI=1S/C24H29F/c1-3-5-6-19-9-11-20(12-10-19)22-15-16-23(24(25)17-22)21-13-7-18(4-2)8-14-21/h3,9-12,15-18,21H,1,4-8,13-14H2,2H3
InChIKeyCBXLDGUHWFMTFD-UHFFFAOYSA-N
MW336.49 g/mol
LogP7.30
Rot. Bonds6

About 4-(4-but-3-enylphenyl)-1-(4-ethylcyclohexyl)-2-fluorobenzene

4-(4-but-3-enylphenyl)-1-(4-ethylcyclohexyl)-2-fluorobenzene (PubChem CID 139749384) has the molecular formula C24H29F and a molecular weight of 336.49 g/mol. Its IUPAC name is 4-(4-but-3-enylphenyl)-1-(4-ethylcyclohexyl)-2-fluorobenzene.

Molecular Properties

Compound Name4-(4-but-3-enylphenyl)-1-(4-ethylcyclohexyl)-2-fluorobenzene
PubChem CID139749384
Molecular FormulaC24H29F
Molecular Weight336.49 g/mol
Exact Mass336.23
IUPAC Name4-(4-but-3-enylphenyl)-1-(4-ethylcyclohexyl)-2-fluorobenzene
SMILESC=CCCc1ccc(-c2ccc(C3CCC(CC)CC3)c(F)c2)cc1
InChIInChI=1S/C24H29F/c1-3-5-6-19-9-11-20(12-10-19)22-15-16-23(24(25)17-22)21-13-7-18(4-2)8-14-21/h3,9-12,15-18,21H,1,4-8,13-14H2,2H3
InChIKeyCBXLDGUHWFMTFD-UHFFFAOYSA-N
XLogP7.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.49
LogP ≤ 57.30
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

4-(4-but-3-enylphenyl)-2-fluoro-1-(4-pentoxycyclohexyl)benzene
CID 139749280
4-but-3-enyl-1-[4-(4-ethoxycyclohexyl)-3-fluorophenyl]-2-fluorobenzene
CID 139749265
4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene
CID 14993447
1-(4-but-3-enylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 139749327
1-[4-[4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-3-fluorophenyl]phenyl]-2,3-difluoro-4-octylbenzene
CID 67738035
1-(4-ethenylcyclohexyl)-2-fluoro-4-propylbenzene
CID 71422815
2-fluoro-4-[4-[(E)-pent-3-enyl]phenyl]-1-(4-pentoxycyclohexyl)benzene
CID 139749316
4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 118136047
2-[4-[2-(4-but-3-enylphenyl)ethynyl]-2-fluorophenyl]-6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866766
1-[4-[4-(4-but-3-enylcyclohexyl)-3-fluorophenyl]phenyl]-2,3-difluoro-4-propoxybenzene
CID 67730547
2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylheptyl)phenyl]benzene
CID 118409749
4-[4-[2-(4-but-3-enylphenyl)ethynyl]phenyl]-1,2-difluorobenzene
CID 139799047

Frequently Asked Questions

What is the IUPAC name of 4-(4-but-3-enylphenyl)-1-(4-ethylcyclohexyl)-2-fluorobenzene?
The IUPAC name of 4-(4-but-3-enylphenyl)-1-(4-ethylcyclohexyl)-2-fluorobenzene (CID 139749384) is 4-(4-but-3-enylphenyl)-1-(4-ethylcyclohexyl)-2-fluorobenzene.
What is the SMILES notation for 4-(4-but-3-enylphenyl)-1-(4-ethylcyclohexyl)-2-fluorobenzene?
The canonical SMILES for 4-(4-but-3-enylphenyl)-1-(4-ethylcyclohexyl)-2-fluorobenzene is C=CCCc1ccc(-c2ccc(C3CCC(CC)CC3)c(F)c2)cc1.
What is the InChIKey of 4-(4-but-3-enylphenyl)-1-(4-ethylcyclohexyl)-2-fluorobenzene?
The InChIKey is CBXLDGUHWFMTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F/c1-3-5-6-19-9-11-20(12-10-19)22-15-16-23(24(25)17-22)21-13-7-18(4-2)8-14-21/h3,9-12,15-18,21H,1,4-8,13-14H2,2H3.
What are the key properties of 4-(4-but-3-enylphenyl)-1-(4-ethylcyclohexyl)-2-fluorobenzene?
4-(4-but-3-enylphenyl)-1-(4-ethylcyclohexyl)-2-fluorobenzene has a molecular weight of 336.49 g/mol, XLogP of 7.30, 6 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)-1-(4-ethylcyclohexyl)-2-fluorobenzene is sourced from PubChem (CID 139749384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).