3-fluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol

C14H10F2O — CID 11276311

IUPAC3-fluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol
SMILESOc1cc(F)cc(/C=C/c2ccc(F)cc2)c1
InChIInChI=1S/C14H10F2O/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,17H/b2-1+
InChIKeyUNFGQWYRZITXRD-OWOJBTEDSA-N
MW232.23 g/mol
LogP3.84
Rot. Bonds2

About 3-fluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol

3-fluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol (PubChem CID 11276311) has the molecular formula C14H10F2O and a molecular weight of 232.23 g/mol. Its IUPAC name is 3-fluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol
PubChem CID11276311
Molecular FormulaC14H10F2O
Molecular Weight232.23 g/mol
Exact Mass232.07
IUPAC Name3-fluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol
SMILESOc1cc(F)cc(/C=C/c2ccc(F)cc2)c1
InChIInChI=1S/C14H10F2O/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,17H/b2-1+
InChIKeyUNFGQWYRZITXRD-OWOJBTEDSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 53.84
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 3-fluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol?
The IUPAC name of 3-fluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol (CID 11276311) is 3-fluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol.
What is the SMILES notation for 3-fluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol?
The canonical SMILES for 3-fluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol is Oc1cc(F)cc(/C=C/c2ccc(F)cc2)c1.
What is the InChIKey of 3-fluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol?
The InChIKey is UNFGQWYRZITXRD-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H10F2O/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,17H/b2-1+.
What are the key properties of 3-fluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol?
3-fluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol has a molecular weight of 232.23 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol is sourced from PubChem (CID 11276311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).