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

C17H14F2O2 — CID 75890602

IUPAC3-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
SMILESCCOc1ccc(C(=O)C=Cc2cc(F)ccc2F)cc1
InChIInChI=1S/C17H14F2O2/c1-2-21-15-7-3-12(4-8-15)17(20)10-5-13-11-14(18)6-9-16(13)19/h3-11H,2H2,1H3
InChIKeyREMCBEPSIQZEFZ-UHFFFAOYSA-N
MW288.29 g/mol
LogP4.26
Rot. Bonds5

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

3-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one (PubChem CID 75890602) has the molecular formula C17H14F2O2 and a molecular weight of 288.29 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
PubChem CID75890602
Molecular FormulaC17H14F2O2
Molecular Weight288.29 g/mol
Exact Mass288.10
IUPAC Name3-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
SMILESCCOc1ccc(C(=O)C=Cc2cc(F)ccc2F)cc1
InChIInChI=1S/C17H14F2O2/c1-2-21-15-7-3-12(4-8-15)17(20)10-5-13-11-14(18)6-9-16(13)19/h3-11H,2H2,1H3
InChIKeyREMCBEPSIQZEFZ-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-(4-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-(3-ethoxyphenyl)prop-2-en-1-one
CID 75937701
[4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]phenyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 177461738
(E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 39369360
(E)-3-(3-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 39369361
(E)-3-(3,5-diethoxy-2-methylphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 67778408
(E)-3-(2,5-difluorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 52643172
4-[4-[3-(2,4-difluorophenyl)prop-2-enoyl]phenoxy]butanoic acid
CID 76863410
2-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)ethanone
CID 115736561
1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 2880362
(E)-3-(3,4-difluoroanilino)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 46858600
3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 54513163
(E)-3-(2,3-dibromo-4,5-dihydroxyphenyl)-1-[4-(4-ethoxyphenoxy)phenyl]prop-2-en-1-one
CID 155672553

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one?
The IUPAC name of 3-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one (CID 75890602) is 3-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 3-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one is CCOc1ccc(C(=O)C=Cc2cc(F)ccc2F)cc1.
What is the InChIKey of 3-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one?
The InChIKey is REMCBEPSIQZEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2O2/c1-2-21-15-7-3-12(4-8-15)17(20)10-5-13-11-14(18)6-9-16(13)19/h3-11H,2H2,1H3.
What are the key properties of 3-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one?
3-(2,5-difluorophenyl)-1-(4-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-(4-ethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 75890602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).