1-[2-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]ethenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene

C30H31F3O — CID 77470302

IUPAC1-[2-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]ethenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene
SMILESCCOc1ccc(C2CCC(C=Cc3ccc(-c4ccc(CC)cc4)c(F)c3F)CC2)cc1F
InChIInChI=1S/C30H31F3O/c1-3-20-5-12-23(13-6-20)26-17-15-24(29(32)30(26)33)14-9-21-7-10-22(11-8-21)25-16-18-28(34-4-2)27(31)19-25/h5-6,9,12-19,21-22H,3-4,7-8,10-11H2,1-2H3
InChIKeyYOXDYJHHTNYIBN-UHFFFAOYSA-N
MW464.57 g/mol
LogP8.72
Rot. Bonds7

About 1-[2-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]ethenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene

1-[2-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]ethenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene (PubChem CID 77470302) has the molecular formula C30H31F3O and a molecular weight of 464.57 g/mol. Its IUPAC name is 1-[2-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]ethenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[2-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]ethenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene
PubChem CID77470302
Molecular FormulaC30H31F3O
Molecular Weight464.57 g/mol
Exact Mass464.23
IUPAC Name1-[2-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]ethenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene
SMILESCCOc1ccc(C2CCC(C=Cc3ccc(-c4ccc(CC)cc4)c(F)c3F)CC2)cc1F
InChIInChI=1S/C30H31F3O/c1-3-20-5-12-23(13-6-20)26-17-15-24(29(32)30(26)33)14-9-21-7-10-22(11-8-21)25-16-18-28(34-4-2)27(31)19-25/h5-6,9,12-19,21-22H,3-4,7-8,10-11H2,1-2H3
InChIKeyYOXDYJHHTNYIBN-UHFFFAOYSA-N
XLogP8.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethylphenyl)-2,3-difluoro-4-[2-[4-(2-fluoro-4-propylphenyl)cyclohexyl]ethenyl]benzene
CID 77470319
1-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-methylphenyl)benzene
CID 77469312
[4-[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluorophenyl]phenyl]methanol
CID 77470327
1-[[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]methoxy]-2,3-difluoro-4-(4-prop-1-enylphenyl)benzene
CID 77470533
1-(4-butoxycyclohexyl)-4-[(E)-2-[4-(4-butoxy-3-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene
CID 89429645
1-[4-[2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene
CID 77470948
[2,3-difluoro-4-[2-[4-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethenyl]phenyl]methanol
CID 76658235
1-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]-2,3-difluoro-4-(4-prop-1-enylcyclohexyl)benzene
CID 77469245
4-(4-ethenylcyclohexyl)-1-ethoxy-2-fluorobenzene
CID 71422813
1-[[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]oxymethyl]-4-(4-ethoxyphenyl)-2,3-difluorobenzene
CID 89429667
2,3-difluoro-1-[4-[2-fluoro-4-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-prop-2-enoxybenzene
CID 77345350
1-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 77470278

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]ethenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene?
The IUPAC name of 1-[2-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]ethenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene (CID 77470302) is 1-[2-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]ethenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene.
What is the SMILES notation for 1-[2-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]ethenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene?
The canonical SMILES for 1-[2-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]ethenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene is CCOc1ccc(C2CCC(C=Cc3ccc(-c4ccc(CC)cc4)c(F)c3F)CC2)cc1F.
What is the InChIKey of 1-[2-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]ethenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene?
The InChIKey is YOXDYJHHTNYIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F3O/c1-3-20-5-12-23(13-6-20)26-17-15-24(29(32)30(26)33)14-9-21-7-10-22(11-8-21)25-16-18-28(34-4-2)27(31)19-25/h5-6,9,12-19,21-22H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 1-[2-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]ethenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene?
1-[2-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]ethenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene has a molecular weight of 464.57 g/mol, XLogP of 8.72, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]ethenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene is sourced from PubChem (CID 77470302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).