2,3-difluoro-1-(4-methoxycyclohexyl)-4-[4-[(E)-pent-3-enyl]phenyl]benzene

C24H28F2O — CID 139749423

IUPAC2,3-difluoro-1-(4-methoxycyclohexyl)-4-[4-[(E)-pent-3-enyl]phenyl]benzene
SMILESC/C=C/CCc1ccc(-c2ccc(C3CCC(OC)CC3)c(F)c2F)cc1
InChIInChI=1S/C24H28F2O/c1-3-4-5-6-17-7-9-18(10-8-17)21-15-16-22(24(26)23(21)25)19-11-13-20(27-2)14-12-19/h3-4,7-10,15-16,19-20H,5-6,11-14H2,1-2H3/b4-3+
InChIKeyQCRVZAZZGVGFBZ-ONEGZZNKSA-N
MW370.48 g/mol
LogP6.81
Rot. Bonds6

About 2,3-difluoro-1-(4-methoxycyclohexyl)-4-[4-[(E)-pent-3-enyl]phenyl]benzene

2,3-difluoro-1-(4-methoxycyclohexyl)-4-[4-[(E)-pent-3-enyl]phenyl]benzene (PubChem CID 139749423) has the molecular formula C24H28F2O and a molecular weight of 370.48 g/mol. Its IUPAC name is 2,3-difluoro-1-(4-methoxycyclohexyl)-4-[4-[(E)-pent-3-enyl]phenyl]benzene.

Molecular Properties

Compound Name2,3-difluoro-1-(4-methoxycyclohexyl)-4-[4-[(E)-pent-3-enyl]phenyl]benzene
PubChem CID139749423
Molecular FormulaC24H28F2O
Molecular Weight370.48 g/mol
Exact Mass370.21
IUPAC Name2,3-difluoro-1-(4-methoxycyclohexyl)-4-[4-[(E)-pent-3-enyl]phenyl]benzene
SMILESC/C=C/CCc1ccc(-c2ccc(C3CCC(OC)CC3)c(F)c2F)cc1
InChIInChI=1S/C24H28F2O/c1-3-4-5-6-17-7-9-18(10-8-17)21-15-16-22(24(26)23(21)25)19-11-13-20(27-2)14-12-19/h3-4,7-10,15-16,19-20H,5-6,11-14H2,1-2H3/b4-3+
InChIKeyQCRVZAZZGVGFBZ-ONEGZZNKSA-N
XLogP6.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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'}

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Related Compounds

1-(4-but-3-enylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 139749327
1-[4-[2,3-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 67730875
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 67730829
2-fluoro-4-[4-[(E)-pent-3-enyl]phenyl]-1-(4-pentoxycyclohexyl)benzene
CID 139749316
1-[4-[2,3-difluoro-4-(4-pent-3-enylcyclohexyl)phenyl]phenyl]-2,3-difluoro-4-pentoxybenzene
CID 77343618
1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 143909052
1-[4-[2,3-difluoro-4-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]phenyl]phenyl]-2,3-difluoro-4-propylbenzene
CID 77345546
1-[4-(2,3-difluoro-4-hexylphenyl)phenyl]-2,3-difluoro-4-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]benzene
CID 77345564
2,3-difluoro-1-methoxy-4-[4-[4-[4-(4-propylphenyl)phenyl]but-1-enyl]cyclohexyl]benzene
CID 77417264
2,3-difluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 129065276
1-[4-[2-(4-ethoxy-2-fluorophenyl)ethyl]phenyl]-2,3-difluoro-4-(4-prop-1-enylcyclohexyl)benzene
CID 77471005
2-fluoro-4-(4-methylcyclohexyl)-1-[4-[(E)-pent-3-enyl]phenyl]benzene
CID 139749385

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-(4-methoxycyclohexyl)-4-[4-[(E)-pent-3-enyl]phenyl]benzene?
The IUPAC name of 2,3-difluoro-1-(4-methoxycyclohexyl)-4-[4-[(E)-pent-3-enyl]phenyl]benzene (CID 139749423) is 2,3-difluoro-1-(4-methoxycyclohexyl)-4-[4-[(E)-pent-3-enyl]phenyl]benzene.
What is the SMILES notation for 2,3-difluoro-1-(4-methoxycyclohexyl)-4-[4-[(E)-pent-3-enyl]phenyl]benzene?
The canonical SMILES for 2,3-difluoro-1-(4-methoxycyclohexyl)-4-[4-[(E)-pent-3-enyl]phenyl]benzene is C/C=C/CCc1ccc(-c2ccc(C3CCC(OC)CC3)c(F)c2F)cc1.
What is the InChIKey of 2,3-difluoro-1-(4-methoxycyclohexyl)-4-[4-[(E)-pent-3-enyl]phenyl]benzene?
The InChIKey is QCRVZAZZGVGFBZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C24H28F2O/c1-3-4-5-6-17-7-9-18(10-8-17)21-15-16-22(24(26)23(21)25)19-11-13-20(27-2)14-12-19/h3-4,7-10,15-16,19-20H,5-6,11-14H2,1-2H3/b4-3+.
What are the key properties of 2,3-difluoro-1-(4-methoxycyclohexyl)-4-[4-[(E)-pent-3-enyl]phenyl]benzene?
2,3-difluoro-1-(4-methoxycyclohexyl)-4-[4-[(E)-pent-3-enyl]phenyl]benzene has a molecular weight of 370.48 g/mol, XLogP of 6.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-(4-methoxycyclohexyl)-4-[4-[(E)-pent-3-enyl]phenyl]benzene is sourced from PubChem (CID 139749423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).