[4-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethenyl]-2-fluorophenyl]methanol

C22H23F3O2 — CID 76658196

IUPAC[4-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethenyl]-2-fluorophenyl]methanol
SMILESCOc1ccc(C2CCC(C=Cc3ccc(CO)c(F)c3)CC2)c(F)c1F
InChIInChI=1S/C22H23F3O2/c1-27-20-11-10-18(21(24)22(20)25)16-7-4-14(5-8-16)2-3-15-6-9-17(13-26)19(23)12-15/h2-3,6,9-12,14,16,26H,4-5,7-8,13H2,1H3
InChIKeyCQDBBZAMYGGHOA-UHFFFAOYSA-N
MW376.42 g/mol
LogP5.59
Rot. Bonds5

About [4-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethenyl]-2-fluorophenyl]methanol

[4-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethenyl]-2-fluorophenyl]methanol (PubChem CID 76658196) has the molecular formula C22H23F3O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is [4-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethenyl]-2-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethenyl]-2-fluorophenyl]methanol
PubChem CID76658196
Molecular FormulaC22H23F3O2
Molecular Weight376.42 g/mol
Exact Mass376.17
IUPAC Name[4-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethenyl]-2-fluorophenyl]methanol
SMILESCOc1ccc(C2CCC(C=Cc3ccc(CO)c(F)c3)CC2)c(F)c1F
InChIInChI=1S/C22H23F3O2/c1-27-20-11-10-18(21(24)22(20)25)16-7-4-14(5-8-16)2-3-15-6-9-17(13-26)19(23)12-15/h2-3,6,9-12,14,16,26H,4-5,7-8,13H2,1H3
InChIKeyCQDBBZAMYGGHOA-UHFFFAOYSA-N
XLogP5.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.42
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene
CID 69087569
2,3-difluoro-1-methoxy-4-[4-(2-methoxyethenyl)cyclohexyl]benzene
CID 141349611
2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene;methane
CID 158097848
2,3-difluoro-1-[4-[2-(3-fluoro-4-propylphenyl)ethenyl]cyclohexyl]-4-pentylbenzene
CID 76658226
[2,3-difluoro-4-[2-[4-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethenyl]phenyl]methanol
CID 76658235
1-[4-[2-(4-butyl-3-fluorophenyl)ethenyl]cyclohexyl]-4-(4-ethylphenyl)-2,3-difluorobenzene
CID 77470774
2,3-difluoro-1-methoxy-4-[4-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]cyclohexyl]benzene
CID 20621725
1-(4-ethenylcyclohexyl)-4-[4-[2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-2,3-difluorobenzene
CID 77470869
2,3-difluoro-1-[4-[3-fluoro-4-(4-prop-1-enylcyclohexyl)phenyl]phenyl]-4-methoxybenzene
CID 77343518
2,3-difluoro-1-[4-[3-fluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]phenyl]-4-methoxybenzene
CID 67730409
2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane
CID 142351768
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 [4-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethenyl]-2-fluorophenyl]methanol?
The IUPAC name of [4-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethenyl]-2-fluorophenyl]methanol (CID 76658196) is [4-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethenyl]-2-fluorophenyl]methanol.
What is the SMILES notation for [4-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethenyl]-2-fluorophenyl]methanol?
The canonical SMILES for [4-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethenyl]-2-fluorophenyl]methanol is COc1ccc(C2CCC(C=Cc3ccc(CO)c(F)c3)CC2)c(F)c1F.
What is the InChIKey of [4-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethenyl]-2-fluorophenyl]methanol?
The InChIKey is CQDBBZAMYGGHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3O2/c1-27-20-11-10-18(21(24)22(20)25)16-7-4-14(5-8-16)2-3-15-6-9-17(13-26)19(23)12-15/h2-3,6,9-12,14,16,26H,4-5,7-8,13H2,1H3.
What are the key properties of [4-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethenyl]-2-fluorophenyl]methanol?
[4-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethenyl]-2-fluorophenyl]methanol has a molecular weight of 376.42 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethenyl]-2-fluorophenyl]methanol is sourced from PubChem (CID 76658196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).