1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene

C23H26F2O — CID 134358545

IUPAC1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene
SMILESC=CC1CCC(c2ccc(-c3ccc(OCCC)c(F)c3F)cc2)CC1
InChIInChI=1S/C23H26F2O/c1-3-15-26-21-14-13-20(22(24)23(21)25)19-11-9-18(10-12-19)17-7-5-16(4-2)6-8-17/h4,9-14,16-17H,2-3,5-8,15H2,1H3
InChIKeyIAPWQPWIWPGTMH-UHFFFAOYSA-N
MW356.46 g/mol
LogP6.88
Rot. Bonds6

About 1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene

1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene (PubChem CID 134358545) has the molecular formula C23H26F2O and a molecular weight of 356.46 g/mol. Its IUPAC name is 1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene.

Molecular Properties

Compound Name1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene
PubChem CID134358545
Molecular FormulaC23H26F2O
Molecular Weight356.46 g/mol
Exact Mass356.20
IUPAC Name1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene
SMILESC=CC1CCC(c2ccc(-c3ccc(OCCC)c(F)c3F)cc2)CC1
InChIInChI=1S/C23H26F2O/c1-3-15-26-21-14-13-20(22(24)23(21)25)19-11-9-18(10-12-19)17-7-5-16(4-2)6-8-17/h4,9-14,16-17H,2-3,5-8,15H2,1H3
InChIKeyIAPWQPWIWPGTMH-UHFFFAOYSA-N
XLogP6.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.46
LogP ≤ 56.88
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

5-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]phenyl]-2-(4-ethenylcyclohexyl)oxane
CID 58021212
1-[4-[4-(4-ethenylcyclohexyl)-3-fluorophenyl]phenyl]-2,3-difluoro-4-propoxybenzene
CID 67730403
1-[4-[4-(4-ethenylcyclohexyl)-2-fluorophenyl]phenyl]-2,3-difluoro-4-hexoxybenzene
CID 67730045
1-[4-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]-3-fluorophenyl]phenyl]-2,3-difluoro-4-propoxybenzene
CID 67737891
1-[4-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluorophenyl]phenyl]-2,3-difluoro-4-heptoxybenzene
CID 67737499
5-[4-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]phenyl]cyclohexyl]-2-ethenyloxane
CID 58021475
1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]benzene
CID 118858832
1-(4-ethenylcyclohexyl)-2,3-difluoro-4-propoxybenzene
CID 20621743
1-[4-(4-ethylcyclohexyl)phenyl]-2,3-difluoro-4-prop-2-enoxybenzene
CID 134358599
2,3-difluoro-1-[4-(4-hexylcyclohexyl)phenyl]-4-propoxybenzene
CID 134358520
1-butoxy-4-(4-cyclohexylphenyl)-2,3-difluorobenzene
CID 173349643
2,3-difluoro-1-[4-[4-[4-(4-pentylphenyl)but-1-enyl]cyclohexyl]phenyl]-4-propoxybenzene
CID 77417347

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene?
The IUPAC name of 1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene (CID 134358545) is 1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene.
What is the SMILES notation for 1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene?
The canonical SMILES for 1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene is C=CC1CCC(c2ccc(-c3ccc(OCCC)c(F)c3F)cc2)CC1.
What is the InChIKey of 1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene?
The InChIKey is IAPWQPWIWPGTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2O/c1-3-15-26-21-14-13-20(22(24)23(21)25)19-11-9-18(10-12-19)17-7-5-16(4-2)6-8-17/h4,9-14,16-17H,2-3,5-8,15H2,1H3.
What are the key properties of 1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene?
1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene has a molecular weight of 356.46 g/mol, XLogP of 6.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene is sourced from PubChem (CID 134358545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).