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

C22H23F3O2 — CID 76658235

IUPAC[2,3-difluoro-4-[2-[4-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethenyl]phenyl]methanol
SMILESCOc1ccc(C2CCC(C=Cc3ccc(CO)c(F)c3F)CC2)cc1F
InChIInChI=1S/C22H23F3O2/c1-27-20-11-10-17(12-19(20)23)15-5-2-14(3-6-15)4-7-16-8-9-18(13-26)22(25)21(16)24/h4,7-12,14-15,26H,2-3,5-6,13H2,1H3
InChIKeyGAPLQUKSCUNYGC-UHFFFAOYSA-N
MW376.42 g/mol
LogP5.59
Rot. Bonds5

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

[2,3-difluoro-4-[2-[4-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethenyl]phenyl]methanol (PubChem CID 76658235) has the molecular formula C22H23F3O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is [2,3-difluoro-4-[2-[4-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethenyl]phenyl]methanol.

Molecular Properties

Compound Name[2,3-difluoro-4-[2-[4-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethenyl]phenyl]methanol
PubChem CID76658235
Molecular FormulaC22H23F3O2
Molecular Weight376.42 g/mol
Exact Mass376.17
IUPAC Name[2,3-difluoro-4-[2-[4-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethenyl]phenyl]methanol
SMILESCOc1ccc(C2CCC(C=Cc3ccc(CO)c(F)c3F)CC2)cc1F
InChIInChI=1S/C22H23F3O2/c1-27-20-11-10-17(12-19(20)23)15-5-2-14(3-6-15)4-7-16-8-9-18(13-26)22(25)21(16)24/h4,7-12,14-15,26H,2-3,5-6,13H2,1H3
InChIKeyGAPLQUKSCUNYGC-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

1-ethyl-2,3-difluoro-4-[(E)-2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]ethenyl]benzene
CID 58141399
1-[2-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]ethenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene
CID 77470302
[4-[2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethenyl]-2-fluorophenyl]methanol
CID 76658196
1-(4-butoxycyclohexyl)-4-[(E)-2-[4-(4-butoxy-3-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene
CID 89429645
[2,3-difluoro-4-[2-[5-(3-fluoro-4-methoxyphenyl)oxan-2-yl]ethynyl]phenyl]methanol
CID 58140736
2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene
CID 18344262
1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-propylbenzene
CID 88977772
1,2-difluoro-3-methoxy-7-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene
CID 139863353
1-[(E)-2-cyclopropylethenyl]-4-cyclopropyloxy-2,3-difluorobenzene
CID 152846017
1-[4-(4-ethenyl-3-fluorophenyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene
CID 88997617
1-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]-2,3-difluoro-4-(4-prop-1-enylcyclohexyl)benzene
CID 77469245
1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-4-ethyl-2,3-difluorobenzene
CID 58140997

Frequently Asked Questions

What is the IUPAC name of [2,3-difluoro-4-[2-[4-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethenyl]phenyl]methanol?
The IUPAC name of [2,3-difluoro-4-[2-[4-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethenyl]phenyl]methanol (CID 76658235) is [2,3-difluoro-4-[2-[4-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethenyl]phenyl]methanol.
What is the SMILES notation for [2,3-difluoro-4-[2-[4-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethenyl]phenyl]methanol?
The canonical SMILES for [2,3-difluoro-4-[2-[4-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethenyl]phenyl]methanol is COc1ccc(C2CCC(C=Cc3ccc(CO)c(F)c3F)CC2)cc1F.
What is the InChIKey of [2,3-difluoro-4-[2-[4-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethenyl]phenyl]methanol?
The InChIKey is GAPLQUKSCUNYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3O2/c1-27-20-11-10-17(12-19(20)23)15-5-2-14(3-6-15)4-7-16-8-9-18(13-26)22(25)21(16)24/h4,7-12,14-15,26H,2-3,5-6,13H2,1H3.
What are the key properties of [2,3-difluoro-4-[2-[4-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethenyl]phenyl]methanol?
[2,3-difluoro-4-[2-[4-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethenyl]phenyl]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 [2,3-difluoro-4-[2-[4-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethenyl]phenyl]methanol is sourced from PubChem (CID 76658235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).