3-[(E)-2-(3,4-difluorophenyl)ethenyl]phenol

C14H10F2O — CID 11402008

IUPAC3-[(E)-2-(3,4-difluorophenyl)ethenyl]phenol
SMILESOc1cccc(/C=C/c2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H10F2O/c15-13-7-6-11(9-14(13)16)5-4-10-2-1-3-12(17)8-10/h1-9,17H/b5-4+
InChIKeyWCDKKNOOJDZLBV-SNAWJCMRSA-N
MW232.23 g/mol
LogP3.84
Rot. Bonds2

About 3-[(E)-2-(3,4-difluorophenyl)ethenyl]phenol

3-[(E)-2-(3,4-difluorophenyl)ethenyl]phenol (PubChem CID 11402008) has the molecular formula C14H10F2O and a molecular weight of 232.23 g/mol. Its IUPAC name is 3-[(E)-2-(3,4-difluorophenyl)ethenyl]phenol.

Molecular Properties

Compound Name3-[(E)-2-(3,4-difluorophenyl)ethenyl]phenol
PubChem CID11402008
Molecular FormulaC14H10F2O
Molecular Weight232.23 g/mol
Exact Mass232.07
IUPAC Name3-[(E)-2-(3,4-difluorophenyl)ethenyl]phenol
SMILESOc1cccc(/C=C/c2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H10F2O/c15-13-7-6-11(9-14(13)16)5-4-10-2-1-3-12(17)8-10/h1-9,17H/b5-4+
InChIKeyWCDKKNOOJDZLBV-SNAWJCMRSA-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-[(E)-2-(3,4-difluorophenyl)ethenyl]phenol?
The IUPAC name of 3-[(E)-2-(3,4-difluorophenyl)ethenyl]phenol (CID 11402008) is 3-[(E)-2-(3,4-difluorophenyl)ethenyl]phenol.
What is the SMILES notation for 3-[(E)-2-(3,4-difluorophenyl)ethenyl]phenol?
The canonical SMILES for 3-[(E)-2-(3,4-difluorophenyl)ethenyl]phenol is Oc1cccc(/C=C/c2ccc(F)c(F)c2)c1.
What is the InChIKey of 3-[(E)-2-(3,4-difluorophenyl)ethenyl]phenol?
The InChIKey is WCDKKNOOJDZLBV-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H10F2O/c15-13-7-6-11(9-14(13)16)5-4-10-2-1-3-12(17)8-10/h1-9,17H/b5-4+.
What are the key properties of 3-[(E)-2-(3,4-difluorophenyl)ethenyl]phenol?
3-[(E)-2-(3,4-difluorophenyl)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-[(E)-2-(3,4-difluorophenyl)ethenyl]phenol is sourced from PubChem (CID 11402008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).