(E)-3-(2,5-difluorophenyl)-1-(4-fluoro-2-hydroxyphenyl)prop-2-en-1-one

C15H9F3O2 — CID 162436453

IUPAC(E)-3-(2,5-difluorophenyl)-1-(4-fluoro-2-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1cc(F)ccc1F)c1ccc(F)cc1O
InChIInChI=1S/C15H9F3O2/c16-10-3-5-13(18)9(7-10)1-6-14(19)12-4-2-11(17)8-15(12)20/h1-8,20H/b6-1+
InChIKeyOBSLWEVZQFTDRD-LZCJLJQNSA-N
MW278.23 g/mol
LogP3.71
Rot. Bonds3

About (E)-3-(2,5-difluorophenyl)-1-(4-fluoro-2-hydroxyphenyl)prop-2-en-1-one

(E)-3-(2,5-difluorophenyl)-1-(4-fluoro-2-hydroxyphenyl)prop-2-en-1-one (PubChem CID 162436453) has the molecular formula C15H9F3O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is (E)-3-(2,5-difluorophenyl)-1-(4-fluoro-2-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2,5-difluorophenyl)-1-(4-fluoro-2-hydroxyphenyl)prop-2-en-1-one
PubChem CID162436453
Molecular FormulaC15H9F3O2
Molecular Weight278.23 g/mol
Exact Mass278.06
IUPAC Name(E)-3-(2,5-difluorophenyl)-1-(4-fluoro-2-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1cc(F)ccc1F)c1ccc(F)cc1O
InChIInChI=1S/C15H9F3O2/c16-10-3-5-13(18)9(7-10)1-6-14(19)12-4-2-11(17)8-15(12)20/h1-8,20H/b6-1+
InChIKeyOBSLWEVZQFTDRD-LZCJLJQNSA-N
XLogP3.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(2,5-difluorophenyl)-1-(4-fluoro-2-hydroxyphenyl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(4-chloro-2-hydroxyphenyl)-1-(2,4-dihydroxyphenyl)prop-2-en-1-one
CID 175887439
(E)-1-(2,4-dichlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 19562946
bis(4-fluoro-2-hydroxyphenyl)methanone
CID 125469613
methyl (E)-3-(2,5-difluorophenyl)prop-2-enoate
CID 53338930
(E)-3-(4-bromo-2-fluorophenyl)-1-(2,5-difluorophenyl)prop-2-en-1-one
CID 8832402
(E)-3-(2,5-difluorophenyl)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]prop-2-en-1-one
CID 60592039
(E)-1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)prop-2-en-1-one
CID 7945631
(E)-3-(2-fluorophenyl)-1-(2,3,4-trihydroxyphenyl)prop-2-en-1-one
CID 169450958
(E)-1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 7947579
(E)-1-(2,4-difluorophenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 7945612
(E)-1-(2,5-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 8832351
(E)-3-(2,5-difluorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 52643172

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-difluorophenyl)-1-(4-fluoro-2-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2,5-difluorophenyl)-1-(4-fluoro-2-hydroxyphenyl)prop-2-en-1-one (CID 162436453) is (E)-3-(2,5-difluorophenyl)-1-(4-fluoro-2-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2,5-difluorophenyl)-1-(4-fluoro-2-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2,5-difluorophenyl)-1-(4-fluoro-2-hydroxyphenyl)prop-2-en-1-one is O=C(/C=C/c1cc(F)ccc1F)c1ccc(F)cc1O.
What is the InChIKey of (E)-3-(2,5-difluorophenyl)-1-(4-fluoro-2-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is OBSLWEVZQFTDRD-LZCJLJQNSA-N. The full InChI is InChI=1S/C15H9F3O2/c16-10-3-5-13(18)9(7-10)1-6-14(19)12-4-2-11(17)8-15(12)20/h1-8,20H/b6-1+.
What are the key properties of (E)-3-(2,5-difluorophenyl)-1-(4-fluoro-2-hydroxyphenyl)prop-2-en-1-one?
(E)-3-(2,5-difluorophenyl)-1-(4-fluoro-2-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 278.23 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,5-difluorophenyl)-1-(4-fluoro-2-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 162436453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).