(E)-1-(2,5-dimethoxyphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one;(E)-1-(3-methoxy-5-methylphenyl)-2-methyl-3-(4-propoxyphenyl)prop-2-en-1-one;(E)-3-(4-propoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one

C62H70O12 — CID 159523581

About (E)-1-(2,5-dimethoxyphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one;(E)-1-(3-methoxy-5-methylphenyl)-2-methyl-3-(4-propoxyphenyl)prop-2-en-1-one;(E)-3-(4-propoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one

(E)-1-(2,5-dimethoxyphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one;(E)-1-(3-methoxy-5-methylphenyl)-2-methyl-3-(4-propoxyphenyl)prop-2-en-1-one;(E)-3-(4-propoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one (PubChem CID 159523581) has the molecular formula C62H70O12 and a molecular weight of 1007.23 g/mol. Its IUPAC name is (E)-1-(2,5-dimethoxyphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one;(E)-1-(3-methoxy-5-methylphenyl)-2-methyl-3-(4-propoxyphenyl)prop-2-en-1-one;(E)-3-(4-propoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one.

Molecular Properties

• Compound Name: (E)-1-(2,5-dimethoxyphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one;(E)-1-(3-methoxy-5-methylphenyl)-2-methyl-3-(4-propoxyphenyl)prop-2-en-1-one;(E)-3-(4-propoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
• PubChem CID: 159523581
• Molecular Formula: C62H70O12
• Molecular Weight: 1007.23 g/mol
• Exact Mass: 1006.49
• IUPAC Name: (E)-1-(2,5-dimethoxyphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one;(E)-1-(3-methoxy-5-methylphenyl)-2-methyl-3-(4-propoxyphenyl)prop-2-en-1-one;(E)-3-(4-propoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
• SMILES: CCCOc1ccc(/C=C(\C)C(=O)c2cc(C)cc(OC)c2)cc1.CCCOc1ccc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1.CCCOc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1
• InChI: InChI=1S/C21H24O5.C21H24O3.C20H22O4/c1-5-14-26-16-9-6-15(7-10-16)8-12-18(22)17-11-13-19(23-2)21(25-4)20(17)24-3;1-5-10-24-19-8-6-17(7-9-19)13-16(3)21(22)18-11-15(2)12-20(14-18)23-4;1-4-13-24-16-8-5-15(6-9-16)7-11-19(21)18-14-17(22-2)10-12-20(18)23-3/h6-13H,5,14H2,1-4H3;6-9,11-14H,5,10H2,1-4H3;5-12,14H,4,13H2,1-3H3/b12-8+;16-13+;11-7+
• InChIKey: MCCNSYFCCJYKJZ-BEKLVBOOSA-N
• XLogP: 13.86
• TPSA: 134.28 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1007.23
LogP ≤ 5	13.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,5-dimethoxyphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one;(E)-1-(3-methoxy-5-methylphenyl)-2-methyl-3-(4-propoxyphenyl)prop-2-en-1-one;(E)-3-(4-propoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one?

The IUPAC name of (E)-1-(2,5-dimethoxyphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one;(E)-1-(3-methoxy-5-methylphenyl)-2-methyl-3-(4-propoxyphenyl)prop-2-en-1-one;(E)-3-(4-propoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one (CID 159523581) is (E)-1-(2,5-dimethoxyphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one;(E)-1-(3-methoxy-5-methylphenyl)-2-methyl-3-(4-propoxyphenyl)prop-2-en-1-one;(E)-3-(4-propoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one.

What is the SMILES notation for (E)-1-(2,5-dimethoxyphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one;(E)-1-(3-methoxy-5-methylphenyl)-2-methyl-3-(4-propoxyphenyl)prop-2-en-1-one;(E)-3-(4-propoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one?

The canonical SMILES for (E)-1-(2,5-dimethoxyphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one;(E)-1-(3-methoxy-5-methylphenyl)-2-methyl-3-(4-propoxyphenyl)prop-2-en-1-one;(E)-3-(4-propoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one is CCCOc1ccc(/C=C(\C)C(=O)c2cc(C)cc(OC)c2)cc1.CCCOc1ccc(/C=C/C(=O)c2cc(OC)ccc2OC)cc1.CCCOc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1.

What is the InChIKey of (E)-1-(2,5-dimethoxyphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one;(E)-1-(3-methoxy-5-methylphenyl)-2-methyl-3-(4-propoxyphenyl)prop-2-en-1-one;(E)-3-(4-propoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one?

The InChIKey is MCCNSYFCCJYKJZ-BEKLVBOOSA-N. The full InChI is InChI=1S/C21H24O5.C21H24O3.C20H22O4/c1-5-14-26-16-9-6-15(7-10-16)8-12-18(22)17-11-13-19(23-2)21(25-4)20(17)24-3;1-5-10-24-19-8-6-17(7-9-19)13-16(3)21(22)18-11-15(2)12-20(14-18)23-4;1-4-13-24-16-8-5-15(6-9-16)7-11-19(21)18-14-17(22-2)10-12-20(18)23-3/h6-13H,5,14H2,1-4H3;6-9,11-14H,5,10H2,1-4H3;5-12,14H,4,13H2,1-3H3/b12-8+;16-13+;11-7+.

What are the key properties of (E)-1-(2,5-dimethoxyphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one;(E)-1-(3-methoxy-5-methylphenyl)-2-methyl-3-(4-propoxyphenyl)prop-2-en-1-one;(E)-3-(4-propoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one?

(E)-1-(2,5-dimethoxyphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one;(E)-1-(3-methoxy-5-methylphenyl)-2-methyl-3-(4-propoxyphenyl)prop-2-en-1-one;(E)-3-(4-propoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one has a molecular weight of 1007.23 g/mol, XLogP of 13.86, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-(2,5-dimethoxyphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one;(E)-1-(3-methoxy-5-methylphenyl)-2-methyl-3-(4-propoxyphenyl)prop-2-en-1-one;(E)-3-(4-propoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 159523581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).