3-(2,5-difluorophenyl)-1-(3-ethoxyphenyl)prop-2-en-1-one

C17H14F2O2 — CID 75937701

IUPAC3-(2,5-difluorophenyl)-1-(3-ethoxyphenyl)prop-2-en-1-one
SMILESCCOc1cccc(C(=O)C=Cc2cc(F)ccc2F)c1
InChIInChI=1S/C17H14F2O2/c1-2-21-15-5-3-4-13(11-15)17(20)9-6-12-10-14(18)7-8-16(12)19/h3-11H,2H2,1H3
InChIKeyYBMLZVVPONCDFZ-UHFFFAOYSA-N
MW288.29 g/mol
LogP4.26
Rot. Bonds5

About 3-(2,5-difluorophenyl)-1-(3-ethoxyphenyl)prop-2-en-1-one

3-(2,5-difluorophenyl)-1-(3-ethoxyphenyl)prop-2-en-1-one (PubChem CID 75937701) has the molecular formula C17H14F2O2 and a molecular weight of 288.29 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-1-(3-ethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-1-(3-ethoxyphenyl)prop-2-en-1-one
PubChem CID75937701
Molecular FormulaC17H14F2O2
Molecular Weight288.29 g/mol
Exact Mass288.10
IUPAC Name3-(2,5-difluorophenyl)-1-(3-ethoxyphenyl)prop-2-en-1-one
SMILESCCOc1cccc(C(=O)C=Cc2cc(F)ccc2F)c1
InChIInChI=1S/C17H14F2O2/c1-2-21-15-5-3-4-13(11-15)17(20)9-6-12-10-14(18)7-8-16(12)19/h3-11H,2H2,1H3
InChIKeyYBMLZVVPONCDFZ-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2,5-difluorophenyl)-1-(3-ethoxyphenyl)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-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 75890602
(E)-3-(2,5-difluorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 52643172
(E)-3-(3-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 39369361
3-(3-ethoxyphenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 75890323
2-(3-ethoxyphenyl)-2-oxoacetaldehyde
CID 19004915
(E)-3-(4-ethoxyphenyl)-1-[3-[4-[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]phenoxy]butoxy]phenyl]prop-2-en-1-one
CID 167993814
3-(3-ethoxyanilino)-1-(4-fluorophenyl)prop-2-en-1-one
CID 3931527
(E)-1-[3-(difluoromethoxy)phenyl]-3-(4-ethoxyphenyl)prop-2-en-1-one
CID 19541061
3-(2,5-difluorophenyl)-1-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]prop-2-en-1-one
CID 68743085
2-[3-[3-(3,4-difluorophenyl)prop-2-enoyl]phenoxy]-N,N-dimethylacetamide
CID 78905768
2-[3-[3-(4-ethoxyphenyl)prop-2-enoyl]phenoxy]-N,N-dimethylacetamide
CID 78905786
(E)-3-(1-benzofuran-2-yl)-1-(3-ethoxyphenyl)prop-2-en-1-one
CID 118909526

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-1-(3-ethoxyphenyl)prop-2-en-1-one?
The IUPAC name of 3-(2,5-difluorophenyl)-1-(3-ethoxyphenyl)prop-2-en-1-one (CID 75937701) is 3-(2,5-difluorophenyl)-1-(3-ethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(2,5-difluorophenyl)-1-(3-ethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 3-(2,5-difluorophenyl)-1-(3-ethoxyphenyl)prop-2-en-1-one is CCOc1cccc(C(=O)C=Cc2cc(F)ccc2F)c1.
What is the InChIKey of 3-(2,5-difluorophenyl)-1-(3-ethoxyphenyl)prop-2-en-1-one?
The InChIKey is YBMLZVVPONCDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2O2/c1-2-21-15-5-3-4-13(11-15)17(20)9-6-12-10-14(18)7-8-16(12)19/h3-11H,2H2,1H3.
What are the key properties of 3-(2,5-difluorophenyl)-1-(3-ethoxyphenyl)prop-2-en-1-one?
3-(2,5-difluorophenyl)-1-(3-ethoxyphenyl)prop-2-en-1-one has a molecular weight of 288.29 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-1-(3-ethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 75937701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).