(E)-3-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one

C18H18O4 — CID 5350510

IUPAC(E)-3-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C18H18O4/c1-20-15-8-4-13(5-9-15)17(19)11-7-14-6-10-16(21-2)12-18(14)22-3/h4-12H,1-3H3/b11-7+
InChIKeyQASJJCFLWLUQLE-YRNVUSSQSA-N
MW298.34 g/mol
LogP3.61
Rot. Bonds6

About (E)-3-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one

(E)-3-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one (PubChem CID 5350510) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is (E)-3-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
PubChem CID5350510
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name(E)-3-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C18H18O4/c1-20-15-8-4-13(5-9-15)17(19)11-7-14-6-10-16(21-2)12-18(14)22-3/h4-12H,1-3H3/b11-7+
InChIKeyQASJJCFLWLUQLE-YRNVUSSQSA-N
XLogP3.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one (CID 5350510) is (E)-3-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one is COc1ccc(C(=O)/C=C/c2ccc(OC)cc2OC)cc1.
What is the InChIKey of (E)-3-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one?
The InChIKey is QASJJCFLWLUQLE-YRNVUSSQSA-N. The full InChI is InChI=1S/C18H18O4/c1-20-15-8-4-13(5-9-15)17(19)11-7-14-6-10-16(21-2)12-18(14)22-3/h4-12H,1-3H3/b11-7+.
What are the key properties of (E)-3-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one?
(E)-3-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one has a molecular weight of 298.34 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 5350510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).