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

C20H22O4 — CID 11558906

IUPAC3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)propan-1-one
SMILESC=CCOc1ccc(C(=O)CCc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C20H22O4/c1-4-13-24-17-9-5-15(6-10-17)19(21)12-8-16-7-11-18(22-2)14-20(16)23-3/h4-7,9-11,14H,1,8,12-13H2,2-3H3
InChIKeyGOTMLCDWGKADOH-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.08
Rot. Bonds9

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

3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)propan-1-one (PubChem CID 11558906) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)propan-1-one
PubChem CID11558906
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)propan-1-one
SMILESC=CCOc1ccc(C(=O)CCc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C20H22O4/c1-4-13-24-17-9-5-15(6-10-17)19(21)12-8-16-7-11-18(22-2)14-20(16)23-3/h4-7,9-11,14H,1,8,12-13H2,2-3H3
InChIKeyGOTMLCDWGKADOH-UHFFFAOYSA-N
XLogP4.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-yn-1-one
CID 10448798
3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)but-2-en-1-one
CID 54092549
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2,4-dimethoxyphenyl)propan-1-one
CID 154718984
3-(2,4-dimethoxyphenyl)-2-methyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 54173352
(E)-3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)hex-2-en-1-one
CID 10248342
2,4-dimethoxy-1-prop-2-enylbenzene;pentan-3-one
CID 175249444
N-[2-(2,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 110615942
bis(4-methoxy-2-prop-2-enoxyphenyl)methanone
CID 134843871
2-(2,4-dimethoxyphenyl)ethanesulfinic acid
CID 68550384
2-(2,4-dimethoxyphenyl)-1-phenylethanone
CID 10467591
[4-(4-methoxyphenoxy)carbonylphenyl] 4-prop-2-enoxybenzoate
CID 18368747
(4-prop-2-enoxyphenyl) 4-methoxybenzoate
CID 71332396

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)propan-1-one?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)propan-1-one (CID 11558906) is 3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)propan-1-one.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)propan-1-one?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)propan-1-one is C=CCOc1ccc(C(=O)CCc2ccc(OC)cc2OC)cc1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)propan-1-one?
The InChIKey is GOTMLCDWGKADOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-4-13-24-17-9-5-15(6-10-17)19(21)12-8-16-7-11-18(22-2)14-20(16)23-3/h4-7,9-11,14H,1,8,12-13H2,2-3H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)propan-1-one?
3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)propan-1-one has a molecular weight of 326.39 g/mol, XLogP of 4.08, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)propan-1-one is sourced from PubChem (CID 11558906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).