(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(2,4-dinitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(2-nitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one;(E)-3-(2,4-dinitrophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one;(E)-3-(2,4-dinitrophenyl)-1-(4-methylphenyl)prop-2-en-1-one;(E)-1-(3-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-one

C120H104N10O37 — CID 162223298

About (E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(2,4-dinitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(2-nitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one;(E)-3-(2,4-dinitrophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one;(E)-3-(2,4-dinitrophenyl)-1-(4-methylphenyl)prop-2-en-1-one;(E)-1-(3-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-one

(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(2,4-dinitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(2-nitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one;(E)-3-(2,4-dinitrophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one;(E)-3-(2,4-dinitrophenyl)-1-(4-methylphenyl)prop-2-en-1-one;(E)-1-(3-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-one (PubChem CID 162223298) has the molecular formula C120H104N10O37 and a molecular weight of 2278.18 g/mol. Its IUPAC name is (E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(2,4-dinitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(2-nitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one;(E)-3-(2,4-dinitrophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one;(E)-3-(2,4-dinitrophenyl)-1-(4-methylphenyl)prop-2-en-1-one;(E)-1-(3-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-one.

Molecular Properties

• Compound Name: (E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(2,4-dinitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(2-nitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one;(E)-3-(2,4-dinitrophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one;(E)-3-(2,4-dinitrophenyl)-1-(4-methylphenyl)prop-2-en-1-one;(E)-1-(3-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-one
• PubChem CID: 162223298
• Molecular Formula: C120H104N10O37
• Molecular Weight: 2278.18 g/mol
• Exact Mass: 2276.66
• IUPAC Name: (E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(2,4-dinitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(2-nitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one;(E)-3-(2,4-dinitrophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one;(E)-3-(2,4-dinitrophenyl)-1-(4-methylphenyl)prop-2-en-1-one;(E)-1-(3-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-one
• SMILES: COc1c(C)ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1OC.COc1c(C)ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1OC.COc1c(C)ccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1OC.COc1c(C)ccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])c1OC.COc1cccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1.COc1cccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])c1.Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
• InChI: InChI=1S/C18H16N2O7.3C18H17NO5.C16H12N2O6.C16H12N2O5.C16H13NO4/c1-11-4-8-14(18(27-3)17(11)26-2)16(21)9-6-12-5-7-13(19(22)23)10-15(12)20(24)25;1-12-4-10-15(18(24-3)17(12)23-2)16(20)11-7-13-5-8-14(9-6-13)19(21)22;1-12-7-9-15(18(24-3)17(12)23-2)16(20)10-8-13-5-4-6-14(11-13)19(21)22;1-12-8-10-14(18(24-3)17(12)23-2)16(20)11-9-13-6-4-5-7-15(13)19(21)22;1-24-14-4-2-3-12(9-14)16(19)8-6-11-5-7-13(17(20)21)10-15(11)18(22)23;1-11-2-4-13(5-3-11)16(19)9-7-12-6-8-14(17(20)21)10-15(12)18(22)23;1-21-14-7-4-6-13(11-14)16(18)10-9-12-5-2-3-8-15(12)17(19)20/h4-10H,1-3H3;3*4-11H,1-3H3;2-10H,1H3;2-10H,1H3;2-11H,1H3/b9-6+;11-7+;10-8+;11-9+;8-6+;9-7+;10-9+
• InChIKey: ZUKPAADDJGXMCY-YUICDBSYSA-N
• XLogP: 25.79
• TPSA: 643.19 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 41
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2278.18
LogP ≤ 5	25.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(2,4-dinitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(2-nitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one;(E)-3-(2,4-dinitrophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one;(E)-3-(2,4-dinitrophenyl)-1-(4-methylphenyl)prop-2-en-1-one;(E)-1-(3-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-one?

The IUPAC name of (E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(2,4-dinitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(2-nitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one;(E)-3-(2,4-dinitrophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one;(E)-3-(2,4-dinitrophenyl)-1-(4-methylphenyl)prop-2-en-1-one;(E)-1-(3-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-one (CID 162223298) is (E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(2,4-dinitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(2-nitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one;(E)-3-(2,4-dinitrophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one;(E)-3-(2,4-dinitrophenyl)-1-(4-methylphenyl)prop-2-en-1-one;(E)-1-(3-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-one.

What is the SMILES notation for (E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(2,4-dinitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(2-nitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one;(E)-3-(2,4-dinitrophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one;(E)-3-(2,4-dinitrophenyl)-1-(4-methylphenyl)prop-2-en-1-one;(E)-1-(3-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-one?

The canonical SMILES for (E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(2,4-dinitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(2-nitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one;(E)-3-(2,4-dinitrophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one;(E)-3-(2,4-dinitrophenyl)-1-(4-methylphenyl)prop-2-en-1-one;(E)-1-(3-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-one is COc1c(C)ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1OC.COc1c(C)ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1OC.COc1c(C)ccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1OC.COc1c(C)ccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])c1OC.COc1cccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1.COc1cccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])c1.Cc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1.

What is the InChIKey of (E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(2,4-dinitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(2-nitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one;(E)-3-(2,4-dinitrophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one;(E)-3-(2,4-dinitrophenyl)-1-(4-methylphenyl)prop-2-en-1-one;(E)-1-(3-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-one?

The InChIKey is ZUKPAADDJGXMCY-YUICDBSYSA-N. The full InChI is InChI=1S/C18H16N2O7.3C18H17NO5.C16H12N2O6.C16H12N2O5.C16H13NO4/c1-11-4-8-14(18(27-3)17(11)26-2)16(21)9-6-12-5-7-13(19(22)23)10-15(12)20(24)25;1-12-4-10-15(18(24-3)17(12)23-2)16(20)11-7-13-5-8-14(9-6-13)19(21)22;1-12-7-9-15(18(24-3)17(12)23-2)16(20)10-8-13-5-4-6-14(11-13)19(21)22;1-12-8-10-14(18(24-3)17(12)23-2)16(20)11-9-13-6-4-5-7-15(13)19(21)22;1-24-14-4-2-3-12(9-14)16(19)8-6-11-5-7-13(17(20)21)10-15(11)18(22)23;1-11-2-4-13(5-3-11)16(19)9-7-12-6-8-14(17(20)21)10-15(12)18(22)23;1-21-14-7-4-6-13(11-14)16(18)10-9-12-5-2-3-8-15(12)17(19)20/h4-10H,1-3H3;3*4-11H,1-3H3;2-10H,1H3;2-10H,1H3;2-11H,1H3/b9-6+;11-7+;10-8+;11-9+;8-6+;9-7+;10-9+.

What are the key properties of (E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(2,4-dinitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(2-nitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one;(E)-3-(2,4-dinitrophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one;(E)-3-(2,4-dinitrophenyl)-1-(4-methylphenyl)prop-2-en-1-one;(E)-1-(3-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-one?

(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(2,4-dinitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(2-nitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one;(E)-3-(2,4-dinitrophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one;(E)-3-(2,4-dinitrophenyl)-1-(4-methylphenyl)prop-2-en-1-one;(E)-1-(3-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-one has a molecular weight of 2278.18 g/mol, XLogP of 25.79, 41 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(2,4-dinitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(2-nitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one;(E)-1-(2,3-dimethoxy-4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one;(E)-3-(2,4-dinitrophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one;(E)-3-(2,4-dinitrophenyl)-1-(4-methylphenyl)prop-2-en-1-one;(E)-1-(3-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-one is sourced from PubChem (CID 162223298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).