1-[(E)-1,2-difluoro-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-4-ethoxybenzene

C23H26F2O — CID 139790644

IUPAC1-[(E)-1,2-difluoro-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-4-ethoxybenzene
SMILESCCOc1ccc(/C(F)=C(\F)c2ccc(C3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C23H26F2O/c1-3-26-21-14-12-20(13-15-21)23(25)22(24)19-10-8-18(9-11-19)17-6-4-16(2)5-7-17/h8-17H,3-7H2,1-2H3/b23-22+
InChIKeyKIEPXSHIWUZRDB-GHVJWSGMSA-N
MW356.46 g/mol
LogP7.14
Rot. Bonds5

About 1-[(E)-1,2-difluoro-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-4-ethoxybenzene

1-[(E)-1,2-difluoro-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-4-ethoxybenzene (PubChem CID 139790644) has the molecular formula C23H26F2O and a molecular weight of 356.46 g/mol. Its IUPAC name is 1-[(E)-1,2-difluoro-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-4-ethoxybenzene.

Molecular Properties

Compound Name1-[(E)-1,2-difluoro-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-4-ethoxybenzene
PubChem CID139790644
Molecular FormulaC23H26F2O
Molecular Weight356.46 g/mol
Exact Mass356.20
IUPAC Name1-[(E)-1,2-difluoro-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-4-ethoxybenzene
SMILESCCOc1ccc(/C(F)=C(\F)c2ccc(C3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C23H26F2O/c1-3-26-21-14-12-20(13-15-21)23(25)22(24)19-10-8-18(9-11-19)17-6-4-16(2)5-7-17/h8-17H,3-7H2,1-2H3/b23-22+
InChIKeyKIEPXSHIWUZRDB-GHVJWSGMSA-N
XLogP7.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.46
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene
CID 57277753
5-[4-(4-ethoxyphenyl)cyclohexyl]-2-fluoropyridine
CID 19765513
1-(cyclopropylmethoxy)-4-(4-methylcyclohexyl)benzene
CID 21137247
1-(4-butylcyclohexyl)-4-ethoxybenzene
CID 3019938
1-(4-deuterio-4-propylcyclohexyl)-4-ethoxybenzene
CID 22857790
1-(4-methylcyclohexyl)-4-[2-(4-propoxyphenyl)ethynyl]benzene
CID 58933295
4-(4-ethoxyphenyl)piperidine
CID 21495191
ethyl 2-[4-(4-methylcyclohexyl)phenyl]-2-oxoacetate
CID 117438595
1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-(4-ethylcyclohexyl)benzene
CID 139790691
1-[1,2-difluoro-2-(4-fluorophenyl)ethenyl]-4-(4-ethylcyclohexyl)benzene
CID 175685460
1-methoxy-4-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene
CID 118595910
[4-(4-methylcyclohexyl)phenyl] butanoate
CID 163951339

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2-difluoro-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-4-ethoxybenzene?
The IUPAC name of 1-[(E)-1,2-difluoro-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-4-ethoxybenzene (CID 139790644) is 1-[(E)-1,2-difluoro-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-4-ethoxybenzene.
What is the SMILES notation for 1-[(E)-1,2-difluoro-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-4-ethoxybenzene?
The canonical SMILES for 1-[(E)-1,2-difluoro-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-4-ethoxybenzene is CCOc1ccc(/C(F)=C(\F)c2ccc(C3CCC(C)CC3)cc2)cc1.
What is the InChIKey of 1-[(E)-1,2-difluoro-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-4-ethoxybenzene?
The InChIKey is KIEPXSHIWUZRDB-GHVJWSGMSA-N. The full InChI is InChI=1S/C23H26F2O/c1-3-26-21-14-12-20(13-15-21)23(25)22(24)19-10-8-18(9-11-19)17-6-4-16(2)5-7-17/h8-17H,3-7H2,1-2H3/b23-22+.
What are the key properties of 1-[(E)-1,2-difluoro-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-4-ethoxybenzene?
1-[(E)-1,2-difluoro-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-4-ethoxybenzene has a molecular weight of 356.46 g/mol, XLogP of 7.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2-difluoro-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-4-ethoxybenzene is sourced from PubChem (CID 139790644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).