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

C17H14F2O — CID 7945631

IUPAC(E)-1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)prop-2-en-1-one
SMILESCc1ccc(C)c(/C=C/C(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C17H14F2O/c1-11-3-4-12(2)13(9-11)5-8-17(20)15-7-6-14(18)10-16(15)19/h3-10H,1-2H3/b8-5+
InChIKeyFLPVUIUJQYLWDF-VMPITWQZSA-N
MW272.29 g/mol
LogP4.48
Rot. Bonds3

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

(E)-1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)prop-2-en-1-one (PubChem CID 7945631) has the molecular formula C17H14F2O and a molecular weight of 272.29 g/mol. Its IUPAC name is (E)-1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)prop-2-en-1-one
PubChem CID7945631
Molecular FormulaC17H14F2O
Molecular Weight272.29 g/mol
Exact Mass272.10
IUPAC Name(E)-1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)prop-2-en-1-one
SMILESCc1ccc(C)c(/C=C/C(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C17H14F2O/c1-11-3-4-12(2)13(9-11)5-8-17(20)15-7-6-14(18)10-16(15)19/h3-10H,1-2H3/b8-5+
InChIKeyFLPVUIUJQYLWDF-VMPITWQZSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)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)-1-(2,4-difluorophenyl)-3-(4-methylphenyl)prop-2-en-1-one
CID 8826849
1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 75849637
(E)-1-(2,4-difluorophenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 7945612
(E)-3-(2,5-dimethylphenyl)prop-2-enoate
CID 7019631
(E)-1-(2,5-dimethoxyphenyl)-3-(2,5-dimethylphenyl)prop-2-en-1-one
CID 7947875
3-(2,5-dimethylphenyl)-1-(4-iodophenyl)prop-2-en-1-one
CID 5186975
(E)-N-(diaminomethylidene)-3-(5-fluoro-2-methylphenyl)prop-2-enamide
CID 163922974
(E)-1-(2,4-difluorophenyl)-3-(2-nitrophenyl)prop-2-en-1-one
CID 8826829
(E)-3-(2,5-difluorophenyl)-1-(4-fluoro-2-hydroxyphenyl)prop-2-en-1-one
CID 162436453
4-[(E)-3-(2,4-difluorophenyl)-3-oxoprop-1-enyl]benzoate
CID 8826837
methyl 4-[(E)-3-(2,4-difluorophenyl)-3-oxoprop-1-enyl]benzoate
CID 17391085
(E)-1-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 8826833

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)prop-2-en-1-one (CID 7945631) is (E)-1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)prop-2-en-1-one is Cc1ccc(C)c(/C=C/C(=O)c2ccc(F)cc2F)c1.
What is the InChIKey of (E)-1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)prop-2-en-1-one?
The InChIKey is FLPVUIUJQYLWDF-VMPITWQZSA-N. The full InChI is InChI=1S/C17H14F2O/c1-11-3-4-12(2)13(9-11)5-8-17(20)15-7-6-14(18)10-16(15)19/h3-10H,1-2H3/b8-5+.
What are the key properties of (E)-1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)prop-2-en-1-one?
(E)-1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)prop-2-en-1-one has a molecular weight of 272.29 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)prop-2-en-1-one is sourced from PubChem (CID 7945631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).