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

C23H19F3O2 — CID 76658350

IUPAC[4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorophenyl]methanol
SMILESCCOc1ccc(-c2ccc(C=Cc3ccc(CO)c(F)c3F)cc2)cc1F
InChIInChI=1S/C23H19F3O2/c1-2-28-21-12-11-18(13-20(21)24)16-6-3-15(4-7-16)5-8-17-9-10-19(14-27)23(26)22(17)25/h3-13,27H,2,14H2,1H3
InChIKeyFUXMGMIEGPRNKK-UHFFFAOYSA-N
MW384.40 g/mol
LogP5.83
Rot. Bonds6

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

[4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorophenyl]methanol (PubChem CID 76658350) has the molecular formula C23H19F3O2 and a molecular weight of 384.40 g/mol. Its IUPAC name is [4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorophenyl]methanol
PubChem CID76658350
Molecular FormulaC23H19F3O2
Molecular Weight384.40 g/mol
Exact Mass384.13
IUPAC Name[4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorophenyl]methanol
SMILESCCOc1ccc(-c2ccc(C=Cc3ccc(CO)c(F)c3F)cc2)cc1F
InChIInChI=1S/C23H19F3O2/c1-2-28-21-12-11-18(13-20(21)24)16-6-3-15(4-7-16)5-8-17-9-10-19(14-27)23(26)22(17)25/h3-13,27H,2,14H2,1H3
InChIKeyFUXMGMIEGPRNKK-UHFFFAOYSA-N
XLogP5.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.40
LogP ≤ 55.83
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-ethenylphenyl)-4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene
CID 77470460
1-[(E)-2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene
CID 159752648
[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]methanol
CID 118188401
1-[(E)-2-[4-(4-but-3-enoxy-3-fluorophenyl)phenyl]ethenyl]-4-(4-ethoxyphenyl)-2,3-difluorobenzene
CID 89429766
1-[(E)-2-[4-[4-(ethoxymethyl)-3-fluorophenyl]phenyl]ethenyl]-2,3-difluoro-4-methoxybenzene
CID 89140000
1-[(E)-2-[4-(4-butoxy-3-fluorophenyl)phenyl]ethenyl]-4-(4-butoxyphenyl)-2,3-difluorobenzene
CID 89429683
1-[[4-(4-ethoxy-3-fluorophenyl)phenoxy]methyl]-2,3-difluoro-4-(4-prop-1-enylphenyl)benzene
CID 77470558
1-[(E)-2-[4-(4-ethoxy-2-fluorophenyl)phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene
CID 58141080
1-[(E)-2-[4-(4-ethyl-3-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-propylbenzene
CID 58141784
1-[4-[2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene
CID 77470948
1-[[4-(4-ethoxy-3-fluorophenyl)phenoxy]methyl]-4-ethyl-2,3-difluorobenzene
CID 58140954
1-[4-[(E)-2-(2,3-difluoro-4-methoxyphenyl)ethenyl]phenyl]-4-(ethoxymethyl)-2,3-difluorobenzene
CID 89139958

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorophenyl]methanol?
The IUPAC name of [4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorophenyl]methanol (CID 76658350) is [4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorophenyl]methanol.
What is the SMILES notation for [4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorophenyl]methanol?
The canonical SMILES for [4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorophenyl]methanol is CCOc1ccc(-c2ccc(C=Cc3ccc(CO)c(F)c3F)cc2)cc1F.
What is the InChIKey of [4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorophenyl]methanol?
The InChIKey is FUXMGMIEGPRNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3O2/c1-2-28-21-12-11-18(13-20(21)24)16-6-3-15(4-7-16)5-8-17-9-10-19(14-27)23(26)22(17)25/h3-13,27H,2,14H2,1H3.
What are the key properties of [4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorophenyl]methanol?
[4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorophenyl]methanol has a molecular weight of 384.40 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorophenyl]methanol is sourced from PubChem (CID 76658350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).