1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylcyclohexyl)benzene

C23H27F — CID 139749319

IUPAC1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylcyclohexyl)benzene
SMILESC=CCCc1ccc(-c2ccc(C3CCC(C)CC3)cc2F)cc1
InChIInChI=1S/C23H27F/c1-3-4-5-18-8-12-20(13-9-18)22-15-14-21(16-23(22)24)19-10-6-17(2)7-11-19/h3,8-9,12-17,19H,1,4-7,10-11H2,2H3
InChIKeyYFHOWJGANGOQRO-UHFFFAOYSA-N
MW322.47 g/mol
LogP6.91
Rot. Bonds5

About 1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylcyclohexyl)benzene

1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylcyclohexyl)benzene (PubChem CID 139749319) has the molecular formula C23H27F and a molecular weight of 322.47 g/mol. Its IUPAC name is 1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylcyclohexyl)benzene.

Molecular Properties

Compound Name1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylcyclohexyl)benzene
PubChem CID139749319
Molecular FormulaC23H27F
Molecular Weight322.47 g/mol
Exact Mass322.21
IUPAC Name1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylcyclohexyl)benzene
SMILESC=CCCc1ccc(-c2ccc(C3CCC(C)CC3)cc2F)cc1
InChIInChI=1S/C23H27F/c1-3-4-5-18-8-12-20(13-9-18)22-15-14-21(16-23(22)24)19-10-6-17(2)7-11-19/h3,8-9,12-17,19H,1,4-7,10-11H2,2H3
InChIKeyYFHOWJGANGOQRO-UHFFFAOYSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.47
LogP ≤ 56.91
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

2-fluoro-4-(4-methylcyclohexyl)-1-[4-[(E)-pent-3-enyl]phenyl]benzene
CID 139749385
1-(4-but-3-enylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 139749327
4-but-3-enyl-2-fluoro-1-[4-(4-propoxycyclohexyl)phenyl]benzene
CID 139749386
4-(4-but-3-enylcyclohexyl)-1-(4-ethylphenyl)-2-fluorobenzene
CID 140843040
1-[4-(5,6-difluoro-4-pent-4-enylcyclohexa-1,3-dien-1-yl)phenyl]-2-fluoro-4-(4-methylcyclohexyl)benzene
CID 143773190
2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylphenyl)phenyl]benzene;methane;molecular hydrogen
CID 161261914
4-(4-but-3-enylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 118136047
2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-prop-2-enylphenyl)benzene
CID 59791157
2,3-difluoro-1-[4-[2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-prop-2-enoxybenzene
CID 88998143
1-(4-but-2-enylphenyl)-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane
CID 158452462
1-but-3-enyl-2-fluoro-4-[2-fluoro-4-(4-propoxycyclohexyl)phenyl]benzene
CID 139749448
1-(4-ethylphenyl)-2-fluoro-4-[4-[4-(4-methylcyclohexyl)oxybutoxy]cyclohexyl]benzene
CID 59265436

Frequently Asked Questions

What is the IUPAC name of 1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylcyclohexyl)benzene?
The IUPAC name of 1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylcyclohexyl)benzene (CID 139749319) is 1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylcyclohexyl)benzene.
What is the SMILES notation for 1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylcyclohexyl)benzene?
The canonical SMILES for 1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylcyclohexyl)benzene is C=CCCc1ccc(-c2ccc(C3CCC(C)CC3)cc2F)cc1.
What is the InChIKey of 1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylcyclohexyl)benzene?
The InChIKey is YFHOWJGANGOQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F/c1-3-4-5-18-8-12-20(13-9-18)22-15-14-21(16-23(22)24)19-10-6-17(2)7-11-19/h3,8-9,12-17,19H,1,4-7,10-11H2,2H3.
What are the key properties of 1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylcyclohexyl)benzene?
1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylcyclohexyl)benzene has a molecular weight of 322.47 g/mol, XLogP of 6.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylcyclohexyl)benzene is sourced from PubChem (CID 139749319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).