4-(4-but-3-enylcyclohexyl)-1-(4-ethylphenyl)-2-fluorobenzene

C24H29F — CID 140843040

IUPAC4-(4-but-3-enylcyclohexyl)-1-(4-ethylphenyl)-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/h3,7-8,13-17,19-20H,1,4-6,9-12H2,2H3
InChIKeyJDQSRZAPVLDCAL-UHFFFAOYSA-N
MW336.49 g/mol
LogP7.30
Rot. Bonds6

About 4-(4-but-3-enylcyclohexyl)-1-(4-ethylphenyl)-2-fluorobenzene

4-(4-but-3-enylcyclohexyl)-1-(4-ethylphenyl)-2-fluorobenzene (PubChem CID 140843040) has the molecular formula C24H29F and a molecular weight of 336.49 g/mol. Its IUPAC name is 4-(4-but-3-enylcyclohexyl)-1-(4-ethylphenyl)-2-fluorobenzene.

Molecular Properties

Compound Name4-(4-but-3-enylcyclohexyl)-1-(4-ethylphenyl)-2-fluorobenzene
PubChem CID140843040
Molecular FormulaC24H29F
Molecular Weight336.49 g/mol
Exact Mass336.23
IUPAC Name4-(4-but-3-enylcyclohexyl)-1-(4-ethylphenyl)-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/h3,7-8,13-17,19-20H,1,4-6,9-12H2,2H3
InChIKeyJDQSRZAPVLDCAL-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

1-[4-[4-(4-but-3-enylcyclohexyl)-2-fluorophenyl]phenyl]-2,3-difluoro-4-methoxybenzene
CID 67730159
1-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]-2-fluoro-4-(4-pentylcyclohexyl)benzene
CID 19906956
1-[4-[4-(4-but-3-enylcyclohexyl)-2-fluorophenyl]phenyl]-4-butoxy-2,3-difluorobenzene
CID 67730090
1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylcyclohexyl)benzene
CID 139749319
5-[4-(4-but-3-enylcyclohexyl)-2-fluorophenyl]-1,3-difluoro-2-(2,2,2-trifluoroethyl)benzene
CID 162555954
1-[4-[4-(4-but-3-enylcyclohexyl)-2-fluorophenyl]phenyl]-2,3-difluoro-4-heptoxybenzene
CID 67730129
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(4-propylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene;molecular hydrogen
CID 158616323
2-but-3-enyl-6-[4-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139867864
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-methylbenzene
CID 67729692
4-[4-[4-(4-but-3-enylcyclohexyl)phenyl]phenyl]-1-ethoxy-2-fluorobenzene
CID 138459506
2-fluoro-4-pent-3-enyl-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 67701116

Frequently Asked Questions

What is the IUPAC name of 4-(4-but-3-enylcyclohexyl)-1-(4-ethylphenyl)-2-fluorobenzene?
The IUPAC name of 4-(4-but-3-enylcyclohexyl)-1-(4-ethylphenyl)-2-fluorobenzene (CID 140843040) is 4-(4-but-3-enylcyclohexyl)-1-(4-ethylphenyl)-2-fluorobenzene.
What is the SMILES notation for 4-(4-but-3-enylcyclohexyl)-1-(4-ethylphenyl)-2-fluorobenzene?
The canonical SMILES for 4-(4-but-3-enylcyclohexyl)-1-(4-ethylphenyl)-2-fluorobenzene is C=CCCC1CCC(c2ccc(-c3ccc(CC)cc3)c(F)c2)CC1.
What is the InChIKey of 4-(4-but-3-enylcyclohexyl)-1-(4-ethylphenyl)-2-fluorobenzene?
The InChIKey is JDQSRZAPVLDCAL-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/h3,7-8,13-17,19-20H,1,4-6,9-12H2,2H3.
What are the key properties of 4-(4-but-3-enylcyclohexyl)-1-(4-ethylphenyl)-2-fluorobenzene?
4-(4-but-3-enylcyclohexyl)-1-(4-ethylphenyl)-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-enylcyclohexyl)-1-(4-ethylphenyl)-2-fluorobenzene is sourced from PubChem (CID 140843040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).