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

C17H15FO2 — CID 39369361

IUPAC(E)-3-(3-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
SMILESCCOc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H15FO2/c1-2-20-16-5-3-4-13(12-16)6-11-17(19)14-7-9-15(18)10-8-14/h3-12H,2H2,1H3/b11-6+
InChIKeyDNMOORJNWMFEQW-IZZDOVSWSA-N
MW270.30 g/mol
LogP4.12
Rot. Bonds5

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

(E)-3-(3-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one (PubChem CID 39369361) has the molecular formula C17H15FO2 and a molecular weight of 270.30 g/mol. Its IUPAC name is (E)-3-(3-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
PubChem CID39369361
Molecular FormulaC17H15FO2
Molecular Weight270.30 g/mol
Exact Mass270.11
IUPAC Name(E)-3-(3-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
SMILESCCOc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H15FO2/c1-2-20-16-5-3-4-13(12-16)6-11-17(19)14-7-9-15(18)10-8-14/h3-12H,2H2,1H3/b11-6+
InChIKeyDNMOORJNWMFEQW-IZZDOVSWSA-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'}

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Related Compounds

(E)-1-(4-ethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 5346015
3-(3-ethoxyphenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 75890323
3-(3-ethoxyanilino)-1-(4-fluorophenyl)prop-2-en-1-one
CID 3931527
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
[3-(3-oxo-3-phenylprop-1-enyl)phenyl] 4-fluorobenzoate
CID 5087937
3-(3-ethoxyphenyl)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]prop-2-en-1-one
CID 76871107
(E)-3-(3-ethoxyphenyl)-1-(2-fluoro-4-methoxyphenyl)prop-2-en-1-one
CID 78889146
(E)-3-(3-ethoxyphenyl)-1-(3-methoxy-4-methylsulfonylphenyl)prop-2-en-1-one
CID 48923058
1-(4-ethylphenyl)-3-(3-fluorophenyl)prop-2-en-1-one
CID 131632623
3-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 75890602
(Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 92913082

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(3-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one (CID 39369361) is (E)-3-(3-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(3-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(3-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one is CCOc1cccc(/C=C/C(=O)c2ccc(F)cc2)c1.
What is the InChIKey of (E)-3-(3-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one?
The InChIKey is DNMOORJNWMFEQW-IZZDOVSWSA-N. The full InChI is InChI=1S/C17H15FO2/c1-2-20-16-5-3-4-13(12-16)6-11-17(19)14-7-9-15(18)10-8-14/h3-12H,2H2,1H3/b11-6+.
What are the key properties of (E)-3-(3-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one?
(E)-3-(3-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-(3-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 39369361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).