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

C21H22O4 — CID 54173352

IUPAC3-(2,4-dimethoxyphenyl)-2-methyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
SMILESC=CCOc1ccc(C(=O)C(C)=Cc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C21H22O4/c1-5-12-25-18-9-6-16(7-10-18)21(22)15(2)13-17-8-11-19(23-3)14-20(17)24-4/h5-11,13-14H,1,12H2,2-4H3
InChIKeyOWODHBRPEBAMGX-UHFFFAOYSA-N
MW338.40 g/mol
LogP4.55
Rot. Bonds8

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

3-(2,4-dimethoxyphenyl)-2-methyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one (PubChem CID 54173352) has the molecular formula C21H22O4 and a molecular weight of 338.40 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-2-methyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-2-methyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
PubChem CID54173352
Molecular FormulaC21H22O4
Molecular Weight338.40 g/mol
Exact Mass338.15
IUPAC Name3-(2,4-dimethoxyphenyl)-2-methyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
SMILESC=CCOc1ccc(C(=O)C(C)=Cc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C21H22O4/c1-5-12-25-18-9-6-16(7-10-18)21(22)15(2)13-17-8-11-19(23-3)14-20(17)24-4/h5-11,13-14H,1,12H2,2-4H3
InChIKeyOWODHBRPEBAMGX-UHFFFAOYSA-N
XLogP4.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 54.55
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

3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)propan-1-one
CID 11558906
3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)but-2-en-1-one
CID 54092549
3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-yn-1-one
CID 10448798
(E)-1-(4-prop-2-enoxyphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 59084049
1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione
CID 129074944
(E)-2-bromo-3-(2,4-dimethoxyphenyl)prop-2-enal
CID 143192374
bis(4-methoxy-2-prop-2-enoxyphenyl)methanone
CID 134843871
1-(3-bromo-2-methylprop-1-enyl)-2,4-dimethoxybenzene
CID 79322600
(E)-3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)hex-2-en-1-one
CID 10248342
[4-(4-methoxyphenoxy)carbonylphenyl] 4-prop-2-enoxybenzoate
CID 18368747
(4-prop-2-enoxyphenyl) 4-methoxybenzoate
CID 71332396
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-prop-2-enoxybenzamide
CID 133200218

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-2-methyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-2-methyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one (CID 54173352) is 3-(2,4-dimethoxyphenyl)-2-methyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-2-methyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-2-methyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one is C=CCOc1ccc(C(=O)C(C)=Cc2ccc(OC)cc2OC)cc1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-2-methyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one?
The InChIKey is OWODHBRPEBAMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O4/c1-5-12-25-18-9-6-16(7-10-18)21(22)15(2)13-17-8-11-19(23-3)14-20(17)24-4/h5-11,13-14H,1,12H2,2-4H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-2-methyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one?
3-(2,4-dimethoxyphenyl)-2-methyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one has a molecular weight of 338.40 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-2-methyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 54173352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).