(E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one

C17H15FO2 — CID 39369360

IUPAC(E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
SMILESCCOc1ccccc1/C=C/C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H15FO2/c1-2-20-17-6-4-3-5-14(17)9-12-16(19)13-7-10-15(18)11-8-13/h3-12H,2H2,1H3/b12-9+
InChIKeyWCLPHPVQDUDMMS-FMIVXFBMSA-N
MW270.30 g/mol
LogP4.12
Rot. Bonds5

About (E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one

(E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one (PubChem CID 39369360) has the molecular formula C17H15FO2 and a molecular weight of 270.30 g/mol. Its IUPAC name is (E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
PubChem CID39369360
Molecular FormulaC17H15FO2
Molecular Weight270.30 g/mol
Exact Mass270.11
IUPAC Name(E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
SMILESCCOc1ccccc1/C=C/C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H15FO2/c1-2-20-17-6-4-3-5-14(17)9-12-16(19)13-7-10-15(18)11-8-13/h3-12H,2H2,1H3/b12-9+
InChIKeyWCLPHPVQDUDMMS-FMIVXFBMSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)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

3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 78787127
2-[4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]phenoxy]-N-methylacetamide
CID 8830404
ethyl 2-[2-(3-oxo-3-phenylprop-1-enyl)phenoxy]acetate
CID 141232127
(E)-3-(2-ethoxyphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one
CID 15944639
3-(2-ethoxyphenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one
CID 3465136
3-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 75890602
(E)-3-(2-ethoxyphenyl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 60503498
3-(2-ethoxyphenyl)-N,N-dimethylprop-2-enamide
CID 76872157
1-phenyl-3-(2,3,4-triethoxyphenyl)prop-2-en-1-one
CID 70287765
(E)-3-(3-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 39369361
(4-acetylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 8764069
(E)-3-(2-butoxyphenyl)-1-(4-propylsulfanylphenyl)prop-2-en-1-one
CID 19824737

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one (CID 39369360) is (E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one is CCOc1ccccc1/C=C/C(=O)c1ccc(F)cc1.
What is the InChIKey of (E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one?
The InChIKey is WCLPHPVQDUDMMS-FMIVXFBMSA-N. The full InChI is InChI=1S/C17H15FO2/c1-2-20-17-6-4-3-5-14(17)9-12-16(19)13-7-10-15(18)11-8-13/h3-12H,2H2,1H3/b12-9+.
What are the key properties of (E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one?
(E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one has a molecular weight of 270.30 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 39369360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).