[4-[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluorophenyl]phenyl]methanol

C29H29F3O2 — CID 77470327

IUPAC[4-[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluorophenyl]phenyl]methanol
SMILESCCOc1ccc(C2CCC(C=Cc3ccc(-c4ccc(CO)cc4)c(F)c3F)CC2)c(F)c1
InChIInChI=1S/C29H29F3O2/c1-2-34-24-14-16-25(27(30)17-24)21-8-3-19(4-9-21)5-12-23-13-15-26(29(32)28(23)31)22-10-6-20(18-33)7-11-22/h5-7,10-17,19,21,33H,2-4,8-9,18H2,1H3
InChIKeyHAQXUMUYMIEDPZ-UHFFFAOYSA-N
MW466.54 g/mol
LogP7.65
Rot. Bonds7

About [4-[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluorophenyl]phenyl]methanol

[4-[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluorophenyl]phenyl]methanol (PubChem CID 77470327) has the molecular formula C29H29F3O2 and a molecular weight of 466.54 g/mol. Its IUPAC name is [4-[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluorophenyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluorophenyl]phenyl]methanol
PubChem CID77470327
Molecular FormulaC29H29F3O2
Molecular Weight466.54 g/mol
Exact Mass466.21
IUPAC Name[4-[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluorophenyl]phenyl]methanol
SMILESCCOc1ccc(C2CCC(C=Cc3ccc(-c4ccc(CO)cc4)c(F)c3F)CC2)c(F)c1
InChIInChI=1S/C29H29F3O2/c1-2-34-24-14-16-25(27(30)17-24)21-8-3-19(4-9-21)5-12-23-13-15-26(29(32)28(23)31)22-10-6-20(18-33)7-11-22/h5-7,10-17,19,21,33H,2-4,8-9,18H2,1H3
InChIKeyHAQXUMUYMIEDPZ-UHFFFAOYSA-N
XLogP7.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[4-(4-ethyl-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-(4-methylphenyl)benzene
CID 77469312
1-(4-ethylphenyl)-2,3-difluoro-4-[2-[4-(2-fluoro-4-propylphenyl)cyclohexyl]ethenyl]benzene
CID 77470319
1-[(E)-2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluoro-4-pentylbenzene
CID 58141647
1-[4-[(E)-2-[4-(ethoxymethyl)-2-fluorophenyl]ethenyl]cyclohexyl]-2,3-difluoro-4-(4-methoxyphenyl)benzene
CID 89124871
1-[4-[(E)-2-(4-butoxy-2-fluorophenyl)ethenyl]cyclohexyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene
CID 89430983
1-[4-[2-(4-ethoxy-2-fluorophenyl)ethyl]phenyl]-2,3-difluoro-4-(4-prop-1-enylcyclohexyl)benzene
CID 77471005
1-(4-butoxycyclohexyl)-4-[(E)-2-[4-(4-butoxy-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene
CID 89429642
1-[2-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]ethenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene
CID 77470302
1-butoxy-4-[(E)-2-[4-[2,3-difluoro-4-(4-propoxyphenyl)phenyl]cyclohexyl]ethenyl]-2,3-difluorobenzene
CID 89430128
1-[4-[(E)-2-[2,3-difluoro-4-(4-methoxyphenyl)phenyl]ethenyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene
CID 89124531
1-[4-[4-[(E)-but-1-enyl]cyclohexyl]-3-fluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 20621656
1-(4-butoxycyclohexyl)-4-[4-[(E)-2-(4-ethoxy-2-fluorophenyl)ethenyl]cyclohexyl]-2,3-difluorobenzene
CID 89430582

Frequently Asked Questions

What is the IUPAC name of [4-[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluorophenyl]phenyl]methanol?
The IUPAC name of [4-[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluorophenyl]phenyl]methanol (CID 77470327) is [4-[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluorophenyl]phenyl]methanol.
What is the SMILES notation for [4-[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluorophenyl]phenyl]methanol?
The canonical SMILES for [4-[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluorophenyl]phenyl]methanol is CCOc1ccc(C2CCC(C=Cc3ccc(-c4ccc(CO)cc4)c(F)c3F)CC2)c(F)c1.
What is the InChIKey of [4-[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluorophenyl]phenyl]methanol?
The InChIKey is HAQXUMUYMIEDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3O2/c1-2-34-24-14-16-25(27(30)17-24)21-8-3-19(4-9-21)5-12-23-13-15-26(29(32)28(23)31)22-10-6-20(18-33)7-11-22/h5-7,10-17,19,21,33H,2-4,8-9,18H2,1H3.
What are the key properties of [4-[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluorophenyl]phenyl]methanol?
[4-[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluorophenyl]phenyl]methanol has a molecular weight of 466.54 g/mol, XLogP of 7.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[2-[4-(4-ethoxy-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluorophenyl]phenyl]methanol is sourced from PubChem (CID 77470327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).