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

C29H28F4O2 — CID 77470844

IUPAC[4-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethenyl]phenyl]-2,3-difluorophenyl]cyclohexyl]methanol
SMILESCCOc1ccc(C=Cc2ccc(-c3ccc(C4CCC(CO)CC4)c(F)c3F)cc2)c(F)c1F
InChIInChI=1S/C29H28F4O2/c1-2-35-25-16-13-22(26(30)29(25)33)12-5-18-3-8-20(9-4-18)23-14-15-24(28(32)27(23)31)21-10-6-19(17-34)7-11-21/h3-5,8-9,12-16,19,21,34H,2,6-7,10-11,17H2,1H3
InChIKeyLKZHUTUMSQOWIG-UHFFFAOYSA-N
MW484.53 g/mol
LogP7.75
Rot. Bonds7

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

[4-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethenyl]phenyl]-2,3-difluorophenyl]cyclohexyl]methanol (PubChem CID 77470844) has the molecular formula C29H28F4O2 and a molecular weight of 484.53 g/mol. Its IUPAC name is [4-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethenyl]phenyl]-2,3-difluorophenyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethenyl]phenyl]-2,3-difluorophenyl]cyclohexyl]methanol
PubChem CID77470844
Molecular FormulaC29H28F4O2
Molecular Weight484.53 g/mol
Exact Mass484.20
IUPAC Name[4-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethenyl]phenyl]-2,3-difluorophenyl]cyclohexyl]methanol
SMILESCCOc1ccc(C=Cc2ccc(-c3ccc(C4CCC(CO)CC4)c(F)c3F)cc2)c(F)c1F
InChIInChI=1S/C29H28F4O2/c1-2-35-25-16-13-22(26(30)29(25)33)12-5-18-3-8-20(9-4-18)23-14-15-24(28(32)27(23)31)21-10-6-19(17-34)7-11-21/h3-5,8-9,12-16,19,21,34H,2,6-7,10-11,17H2,1H3
InChIKeyLKZHUTUMSQOWIG-UHFFFAOYSA-N
XLogP7.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.53
LogP ≤ 57.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-[2,3-difluoro-4-(4-prop-1-enylphenyl)phenyl]cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 77471031
1-butoxy-4-[(E)-2-[4-[2,3-difluoro-4-(4-propoxycyclohexyl)phenyl]phenyl]ethenyl]-2,3-difluorobenzene
CID 89430182
1-(4-ethoxycyclohexyl)-4-[4-[(E)-2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-2,3-difluorobenzene
CID 89430318
1-ethoxy-4-[4-[[4-(4-ethoxyphenyl)-2,3-difluorophenoxy]methyl]cyclohexyl]-2,3-difluorobenzene
CID 89430115
1-(4-ethenylcyclohexyl)-4-[4-[2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-2,3-difluorobenzene
CID 77470869
1-[4-[2,3-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 67730875
1-(4-ethoxycyclohexyl)-4-[(E)-2-[4-(4-ethoxy-2-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene
CID 89429966
1-(4-ethoxycyclohexyl)-4-[4-[(E)-2-(4-ethoxy-2-fluorophenyl)ethenyl]phenyl]-2,3-difluorobenzene
CID 89430585
1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene
CID 134358646
1-(4-butoxycyclohexyl)-4-[(E)-2-[4-(4-butoxy-2-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene
CID 89430021
1-butoxy-4-[(E)-2-[4-[2,3-difluoro-4-(4-propoxyphenyl)phenyl]cyclohexyl]ethenyl]-2,3-difluorobenzene
CID 89430128
1-[4-[4-[4-[(E)-2-[2,3-difluoro-4-(oxiran-2-yl)phenyl]ethenyl]phenyl]-2,3-difluorophenyl]cyclohexyl]butan-1-ol
CID 88964167

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethenyl]phenyl]-2,3-difluorophenyl]cyclohexyl]methanol?
The IUPAC name of [4-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethenyl]phenyl]-2,3-difluorophenyl]cyclohexyl]methanol (CID 77470844) is [4-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethenyl]phenyl]-2,3-difluorophenyl]cyclohexyl]methanol.
What is the SMILES notation for [4-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethenyl]phenyl]-2,3-difluorophenyl]cyclohexyl]methanol?
The canonical SMILES for [4-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethenyl]phenyl]-2,3-difluorophenyl]cyclohexyl]methanol is CCOc1ccc(C=Cc2ccc(-c3ccc(C4CCC(CO)CC4)c(F)c3F)cc2)c(F)c1F.
What is the InChIKey of [4-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethenyl]phenyl]-2,3-difluorophenyl]cyclohexyl]methanol?
The InChIKey is LKZHUTUMSQOWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F4O2/c1-2-35-25-16-13-22(26(30)29(25)33)12-5-18-3-8-20(9-4-18)23-14-15-24(28(32)27(23)31)21-10-6-19(17-34)7-11-21/h3-5,8-9,12-16,19,21,34H,2,6-7,10-11,17H2,1H3.
What are the key properties of [4-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethenyl]phenyl]-2,3-difluorophenyl]cyclohexyl]methanol?
[4-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethenyl]phenyl]-2,3-difluorophenyl]cyclohexyl]methanol has a molecular weight of 484.53 g/mol, XLogP of 7.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethenyl]phenyl]-2,3-difluorophenyl]cyclohexyl]methanol is sourced from PubChem (CID 77470844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).