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

C15H11F3O — CID 147450037

IUPAC4-[(E)-2-[3-(difluoromethyl)-4-fluorophenyl]ethenyl]phenol
SMILESOc1ccc(/C=C/c2ccc(F)c(C(F)F)c2)cc1
InChIInChI=1S/C15H11F3O/c16-14-8-5-11(9-13(14)15(17)18)2-1-10-3-6-12(19)7-4-10/h1-9,15,19H/b2-1+
InChIKeyDXWMWSDECPOPSQ-OWOJBTEDSA-N
MW264.25 g/mol
LogP4.64
Rot. Bonds3

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

4-[(E)-2-[3-(difluoromethyl)-4-fluorophenyl]ethenyl]phenol (PubChem CID 147450037) has the molecular formula C15H11F3O and a molecular weight of 264.25 g/mol. Its IUPAC name is 4-[(E)-2-[3-(difluoromethyl)-4-fluorophenyl]ethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-[3-(difluoromethyl)-4-fluorophenyl]ethenyl]phenol
PubChem CID147450037
Molecular FormulaC15H11F3O
Molecular Weight264.25 g/mol
Exact Mass264.08
IUPAC Name4-[(E)-2-[3-(difluoromethyl)-4-fluorophenyl]ethenyl]phenol
SMILESOc1ccc(/C=C/c2ccc(F)c(C(F)F)c2)cc1
InChIInChI=1S/C15H11F3O/c16-14-8-5-11(9-13(14)15(17)18)2-1-10-3-6-12(19)7-4-10/h1-9,15,19H/b2-1+
InChIKeyDXWMWSDECPOPSQ-OWOJBTEDSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-(4-chlorophenyl)ethenyl]phenol
CID 5376643
4-[2-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol
CID 54294164
3-[(E)-2-(4-fluorophenyl)ethenyl]phenol
CID 124660787
4-[2-(3-bromophenyl)ethenyl]phenol
CID 68626612
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
CID 74438837
ethane;3-fluoro-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol
CID 143083538
1-(2-fluoro-5-hydroxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
CID 67106820
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315
4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol;triiodovanadium
CID 157160802
4-(2-phenylethenyl)phenol
CID 157400568
4-[(Z)-2-(4-aminophenyl)ethenyl]phenol
CID 25021233
3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzaldehyde
CID 59310574

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[3-(difluoromethyl)-4-fluorophenyl]ethenyl]phenol?
The IUPAC name of 4-[(E)-2-[3-(difluoromethyl)-4-fluorophenyl]ethenyl]phenol (CID 147450037) is 4-[(E)-2-[3-(difluoromethyl)-4-fluorophenyl]ethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-[3-(difluoromethyl)-4-fluorophenyl]ethenyl]phenol?
The canonical SMILES for 4-[(E)-2-[3-(difluoromethyl)-4-fluorophenyl]ethenyl]phenol is Oc1ccc(/C=C/c2ccc(F)c(C(F)F)c2)cc1.
What is the InChIKey of 4-[(E)-2-[3-(difluoromethyl)-4-fluorophenyl]ethenyl]phenol?
The InChIKey is DXWMWSDECPOPSQ-OWOJBTEDSA-N. The full InChI is InChI=1S/C15H11F3O/c16-14-8-5-11(9-13(14)15(17)18)2-1-10-3-6-12(19)7-4-10/h1-9,15,19H/b2-1+.
What are the key properties of 4-[(E)-2-[3-(difluoromethyl)-4-fluorophenyl]ethenyl]phenol?
4-[(E)-2-[3-(difluoromethyl)-4-fluorophenyl]ethenyl]phenol has a molecular weight of 264.25 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[3-(difluoromethyl)-4-fluorophenyl]ethenyl]phenol is sourced from PubChem (CID 147450037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).