(E)-3-(3,4-diethoxy-5-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one

C19H21NO4 — CID 144953612

IUPAC(E)-3-(3,4-diethoxy-5-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
SMILESCCOc1cc(/C=C/C(=O)c2ccncc2)cc(OC)c1OCC
InChIInChI=1S/C19H21NO4/c1-4-23-18-13-14(12-17(22-3)19(18)24-5-2)6-7-16(21)15-8-10-20-11-9-15/h6-13H,4-5H2,1-3H3/b7-6+
InChIKeySQZFPRBIMUDDBG-VOTSOKGWSA-N
MW327.38 g/mol
LogP3.78
Rot. Bonds8

About (E)-3-(3,4-diethoxy-5-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one

(E)-3-(3,4-diethoxy-5-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one (PubChem CID 144953612) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (E)-3-(3,4-diethoxy-5-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3,4-diethoxy-5-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
PubChem CID144953612
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(E)-3-(3,4-diethoxy-5-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
SMILESCCOc1cc(/C=C/C(=O)c2ccncc2)cc(OC)c1OCC
InChIInChI=1S/C19H21NO4/c1-4-23-18-13-14(12-17(22-3)19(18)24-5-2)6-7-16(21)15-8-10-20-11-9-15/h6-13H,4-5H2,1-3H3/b7-6+
InChIKeySQZFPRBIMUDDBG-VOTSOKGWSA-N
XLogP3.78
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-diethoxy-5-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(3,4-diethoxy-5-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one (CID 144953612) is (E)-3-(3,4-diethoxy-5-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(3,4-diethoxy-5-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(3,4-diethoxy-5-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one is CCOc1cc(/C=C/C(=O)c2ccncc2)cc(OC)c1OCC.
What is the InChIKey of (E)-3-(3,4-diethoxy-5-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one?
The InChIKey is SQZFPRBIMUDDBG-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H21NO4/c1-4-23-18-13-14(12-17(22-3)19(18)24-5-2)6-7-16(21)15-8-10-20-11-9-15/h6-13H,4-5H2,1-3H3/b7-6+.
What are the key properties of (E)-3-(3,4-diethoxy-5-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one?
(E)-3-(3,4-diethoxy-5-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one has a molecular weight of 327.38 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-diethoxy-5-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one is sourced from PubChem (CID 144953612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).