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

C20H20O4 — CID 10381596

IUPAC(E)-3-(3,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
SMILESC=CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H20O4/c1-4-13-24-17-9-7-16(8-10-17)18(21)11-5-15-6-12-19(22-2)20(14-15)23-3/h4-12,14H,1,13H2,2-3H3/b11-5+
InChIKeyXPMREIUZVYZGQY-VZUCSPMQSA-N
MW324.38 g/mol
LogP4.16
Rot. Bonds8

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

(E)-3-(3,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one (PubChem CID 10381596) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
PubChem CID10381596
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
SMILESC=CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H20O4/c1-4-13-24-17-9-7-16(8-10-17)18(21)11-5-15-6-12-19(22-2)20(14-15)23-3/h4-12,14H,1,13H2,2-3H3/b11-5+
InChIKeyXPMREIUZVYZGQY-VZUCSPMQSA-N
XLogP4.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethylvanillin
CID 8467
Acetovanillone
CID 2214
Eugenyl benzoate
CID 62362
Veratraldehyde
CID 8419
Gingerenone A
CID 5281775
Vanillin isobutyrate
CID 539829
Vanillin acetate
CID 61229
4'-Methoxychalcone
CID 641818
3',4'-Dimethoxyflavone
CID 688674
Cabreuvin
CID 628528
5,7,3',4'-Tetramethoxyflavone
CID 631170
4-Ethoxy-3-methoxybenzaldehyde
CID 67116

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one (CID 10381596) is (E)-3-(3,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one is C=CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one?
The InChIKey is XPMREIUZVYZGQY-VZUCSPMQSA-N. The full InChI is InChI=1S/C20H20O4/c1-4-13-24-17-9-7-16(8-10-17)18(21)11-5-15-6-12-19(22-2)20(14-15)23-3/h4-12,14H,1,13H2,2-3H3/b11-5+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one?
(E)-3-(3,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one has a molecular weight of 324.38 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 10381596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).