[4-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]methanol

C15H12F2O — CID 86725608

IUPAC[4-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]methanol
SMILESOCc1ccc(F)cc1/C=C/c1ccc(F)cc1
InChIInChI=1S/C15H12F2O/c16-14-6-2-11(3-7-14)1-4-12-9-15(17)8-5-13(12)10-18/h1-9,18H,10H2/b4-1+
InChIKeyPRBHFGSFGGOWFY-DAFODLJHSA-N
MW246.26 g/mol
LogP3.63
Rot. Bonds3

About [4-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]methanol

[4-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]methanol (PubChem CID 86725608) has the molecular formula C15H12F2O and a molecular weight of 246.26 g/mol. Its IUPAC name is [4-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]methanol.

Molecular Properties

Compound Name[4-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]methanol
PubChem CID86725608
Molecular FormulaC15H12F2O
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name[4-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]methanol
SMILESOCc1ccc(F)cc1/C=C/c1ccc(F)cc1
InChIInChI=1S/C15H12F2O/c16-14-6-2-11(3-7-14)1-4-12-9-15(17)8-5-13(12)10-18/h1-9,18H,10H2/b4-1+
InChIKeyPRBHFGSFGGOWFY-DAFODLJHSA-N
XLogP3.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]methanol?
The IUPAC name of [4-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]methanol (CID 86725608) is [4-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]methanol.
What is the SMILES notation for [4-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]methanol?
The canonical SMILES for [4-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]methanol is OCc1ccc(F)cc1/C=C/c1ccc(F)cc1.
What is the InChIKey of [4-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]methanol?
The InChIKey is PRBHFGSFGGOWFY-DAFODLJHSA-N. The full InChI is InChI=1S/C15H12F2O/c16-14-6-2-11(3-7-14)1-4-12-9-15(17)8-5-13(12)10-18/h1-9,18H,10H2/b4-1+.
What are the key properties of [4-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]methanol?
[4-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]methanol has a molecular weight of 246.26 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]methanol is sourced from PubChem (CID 86725608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).