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

C18H19NO2 — CID 75395982

IUPAC(E)-3-(2-ethoxyphenyl)-1-(3-ethyl-4-pyridinyl)prop-2-en-1-one
SMILESCCOc1ccccc1/C=C/C(=O)c1ccncc1CC
InChIInChI=1S/C18H19NO2/c1-3-14-13-19-12-11-16(14)17(20)10-9-15-7-5-6-8-18(15)21-4-2/h5-13H,3-4H2,1-2H3/b10-9+
InChIKeyRMLXDLROYADMKO-MDZDMXLPSA-N
MW281.36 g/mol
LogP3.94
Rot. Bonds6

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

(E)-3-(2-ethoxyphenyl)-1-(3-ethyl-4-pyridinyl)prop-2-en-1-one (PubChem CID 75395982) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (E)-3-(2-ethoxyphenyl)-1-(3-ethyl-4-pyridinyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-ethoxyphenyl)-1-(3-ethyl-4-pyridinyl)prop-2-en-1-one
PubChem CID75395982
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(E)-3-(2-ethoxyphenyl)-1-(3-ethyl-4-pyridinyl)prop-2-en-1-one
SMILESCCOc1ccccc1/C=C/C(=O)c1ccncc1CC
InChIInChI=1S/C18H19NO2/c1-3-14-13-19-12-11-16(14)17(20)10-9-15-7-5-6-8-18(15)21-4-2/h5-13H,3-4H2,1-2H3/b10-9+
InChIKeyRMLXDLROYADMKO-MDZDMXLPSA-N
XLogP3.94
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dichlorophenyl)-3-(2-ethoxyphenyl)prop-2-en-1-one
CID 131632720
(E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 39369360
(E)-3-(3,5-dimethoxyphenyl)-1-(3-ethyl-4-pyridinyl)prop-2-en-1-one
CID 75395980
(E)-3-(2-chlorophenyl)-1-(3-methoxy-4-pyridinyl)prop-2-en-1-one;propane
CID 144973467
3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 78787127
(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
(E)-3-(2-ethoxyphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one
CID 15944639
(3-ethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659439
(E)-1-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-ethoxyphenyl)prop-2-en-1-one
CID 154726872
3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
CID 76872072
propan-2-yl 3-(2-ethoxyphenyl)prop-2-enoate
CID 77493840

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethoxyphenyl)-1-(3-ethyl-4-pyridinyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2-ethoxyphenyl)-1-(3-ethyl-4-pyridinyl)prop-2-en-1-one (CID 75395982) is (E)-3-(2-ethoxyphenyl)-1-(3-ethyl-4-pyridinyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-ethoxyphenyl)-1-(3-ethyl-4-pyridinyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2-ethoxyphenyl)-1-(3-ethyl-4-pyridinyl)prop-2-en-1-one is CCOc1ccccc1/C=C/C(=O)c1ccncc1CC.
What is the InChIKey of (E)-3-(2-ethoxyphenyl)-1-(3-ethyl-4-pyridinyl)prop-2-en-1-one?
The InChIKey is RMLXDLROYADMKO-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-14-13-19-12-11-16(14)17(20)10-9-15-7-5-6-8-18(15)21-4-2/h5-13H,3-4H2,1-2H3/b10-9+.
What are the key properties of (E)-3-(2-ethoxyphenyl)-1-(3-ethyl-4-pyridinyl)prop-2-en-1-one?
(E)-3-(2-ethoxyphenyl)-1-(3-ethyl-4-pyridinyl)prop-2-en-1-one has a molecular weight of 281.36 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethoxyphenyl)-1-(3-ethyl-4-pyridinyl)prop-2-en-1-one is sourced from PubChem (CID 75395982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).