1-azido-2-methoxy-4-(3-methoxy-4-methylphenyl)benzene;3-[(4-azidophenyl)methylidene]-5-[(4-methylphenyl)methylidene]-4-oxocyclohexane-1-carboxylic acid;2-[(4-azidophenyl)methylidene]-6-[(4-methylphenyl)methylidene]-4-trimethylsilylcyclohexan-1-one;(2E,6E)-2-[(Z)-3-(4-azidophenyl)prop-2-enylidene]-4-(hydroxymethyl)-6-[(Z)-3-(4-methylphenyl)prop-2-enylidene]cyclohexan-1-one;(2E,6E)-2-[(Z)-3-(4-azidophenyl)prop-2-enylidene]-4-hydroxy-6-[(Z)-3-(4-methylphenyl)prop-2-enylidene]cyclohexan-1-one;(Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one

C127H119N21O11Si — CID 91521627

About 1-azido-2-methoxy-4-(3-methoxy-4-methylphenyl)benzene;3-[(4-azidophenyl)methylidene]-5-[(4-methylphenyl)methylidene]-4-oxocyclohexane-1-carboxylic acid;2-[(4-azidophenyl)methylidene]-6-[(4-methylphenyl)methylidene]-4-trimethylsilylcyclohexan-1-one;(2E,6E)-2-[(Z)-3-(4-azidophenyl)prop-2-enylidene]-4-(hydroxymethyl)-6-[(Z)-3-(4-methylphenyl)prop-2-enylidene]cyclohexan-1-one;(2E,6E)-2-[(Z)-3-(4-azidophenyl)prop-2-enylidene]-4-hydroxy-6-[(Z)-3-(4-methylphenyl)prop-2-enylidene]cyclohexan-1-one;(Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one

1-azido-2-methoxy-4-(3-methoxy-4-methylphenyl)benzene;3-[(4-azidophenyl)methylidene]-5-[(4-methylphenyl)methylidene]-4-oxocyclohexane-1-carboxylic acid;2-[(4-azidophenyl)methylidene]-6-[(4-methylphenyl)methylidene]-4-trimethylsilylcyclohexan-1-one;(2E,6E)-2-[(Z)-3-(4-azidophenyl)prop-2-enylidene]-4-(hydroxymethyl)-6-[(Z)-3-(4-methylphenyl)prop-2-enylidene]cyclohexan-1-one;(2E,6E)-2-[(Z)-3-(4-azidophenyl)prop-2-enylidene]-4-hydroxy-6-[(Z)-3-(4-methylphenyl)prop-2-enylidene]cyclohexan-1-one;(Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one (PubChem CID 91521627) has the molecular formula C127H119N21O11Si and a molecular weight of 2143.57 g/mol. Its IUPAC name is 1-azido-2-methoxy-4-(3-methoxy-4-methylphenyl)benzene;3-[(4-azidophenyl)methylidene]-5-[(4-methylphenyl)methylidene]-4-oxocyclohexane-1-carboxylic acid;2-[(4-azidophenyl)methylidene]-6-[(4-methylphenyl)methylidene]-4-trimethylsilylcyclohexan-1-one;(2E,6E)-2-[(Z)-3-(4-azidophenyl)prop-2-enylidene]-4-(hydroxymethyl)-6-[(Z)-3-(4-methylphenyl)prop-2-enylidene]cyclohexan-1-one;(2E,6E)-2-[(Z)-3-(4-azidophenyl)prop-2-enylidene]-4-hydroxy-6-[(Z)-3-(4-methylphenyl)prop-2-enylidene]cyclohexan-1-one;(Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one.

Molecular Properties

• Compound Name: 1-azido-2-methoxy-4-(3-methoxy-4-methylphenyl)benzene;3-[(4-azidophenyl)methylidene]-5-[(4-methylphenyl)methylidene]-4-oxocyclohexane-1-carboxylic acid;2-[(4-azidophenyl)methylidene]-6-[(4-methylphenyl)methylidene]-4-trimethylsilylcyclohexan-1-one;(2E,6E)-2-[(Z)-3-(4-azidophenyl)prop-2-enylidene]-4-(hydroxymethyl)-6-[(Z)-3-(4-methylphenyl)prop-2-enylidene]cyclohexan-1-one;(2E,6E)-2-[(Z)-3-(4-azidophenyl)prop-2-enylidene]-4-hydroxy-6-[(Z)-3-(4-methylphenyl)prop-2-enylidene]cyclohexan-1-one;(Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one
• PubChem CID: 91521627
• Molecular Formula: C127H119N21O11Si
• Molecular Weight: 2143.57 g/mol
• Exact Mass: 2141.92
• IUPAC Name: 1-azido-2-methoxy-4-(3-methoxy-4-methylphenyl)benzene;3-[(4-azidophenyl)methylidene]-5-[(4-methylphenyl)methylidene]-4-oxocyclohexane-1-carboxylic acid;2-[(4-azidophenyl)methylidene]-6-[(4-methylphenyl)methylidene]-4-trimethylsilylcyclohexan-1-one;(2E,6E)-2-[(Z)-3-(4-azidophenyl)prop-2-enylidene]-4-(hydroxymethyl)-6-[(Z)-3-(4-methylphenyl)prop-2-enylidene]cyclohexan-1-one;(2E,6E)-2-[(Z)-3-(4-azidophenyl)prop-2-enylidene]-4-hydroxy-6-[(Z)-3-(4-methylphenyl)prop-2-enylidene]cyclohexan-1-one;(Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one
• SMILES: COc1cc(-c2ccc(N=[N+]=[N-])c(OC)c2)ccc1C.Cc1ccc(/C=C\C=C2/CC(CO)C/C(=C\C=C/c3ccc(N=[N+]=[N-])cc3)C2=O)cc1.Cc1ccc(/C=C\C=C2/CC(O)C/C(=C\C=C/c3ccc(N=[N+]=[N-])cc3)C2=O)cc1.Cc1ccc(C=C2CC(C(=O)O)CC(=Cc3ccc(N=[N+]=[N-])cc3)C2=O)cc1.Cc1ccc(C=C2CC([Si](C)(C)C)CC(=Cc3ccc(N=[N+]=[N-])cc3)C2=O)cc1.[N-]=[N+]=Nc1ccc(/C=C\C(=O)c2ccc(N=[N+]=[N-])cc2)cc1
• InChI: InChI=1S/C26H25N3O2.C25H23N3O2.C24H27N3OSi.C22H19N3O3.C15H10N6O.C15H15N3O2/c1-19-8-10-20(11-9-19)4-2-6-23-16-22(18-30)17-24(26(23)31)7-3-5-21-12-14-25(15-13-21)28-29-27;1-18-8-10-19(11-9-18)4-2-6-21-16-24(29)17-22(25(21)30)7-3-5-20-12-14-23(15-13-20)27-28-26;1-17-5-7-18(8-6-17)13-20-15-23(29(2,3)4)16-21(24(20)28)14-19-9-11-22(12-10-19)26-27-25;1-14-2-4-15(5-3-14)10-17-12-19(22(27)28)13-18(21(17)26)11-16-6-8-20(9-7-16)24-25-23;16-20-18-13-6-1-11(2-7-13)3-10-15(22)12-4-8-14(9-5-12)19-21-17;1-10-4-5-11(8-14(10)19-2)12-6-7-13(17-18-16)15(9-12)20-3/h2-15,22,30H,16-18H2,1H3;2-15,24,29H,16-17H2,1H3;5-14,23H,15-16H2,1-4H3;2-11,19H,12-13H2,1H3,(H,27,28);1-10H;4-9H,1-3H3/b4-2-,5-3-,23-6+,24-7+;4-2-,5-3-,21-6+,22-7+;;;10-3-
• InChIKey: CMYRWEJIWPOXHH-GPGHJISJSA-N
• XLogP: 35.76
• TPSA: 522.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 28
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2143.57
LogP ≤ 5	35.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-azido-2-methoxy-4-(3-methoxy-4-methylphenyl)benzene;3-[(4-azidophenyl)methylidene]-5-[(4-methylphenyl)methylidene]-4-oxocyclohexane-1-carboxylic acid;2-[(4-azidophenyl)methylidene]-6-[(4-methylphenyl)methylidene]-4-trimethylsilylcyclohexan-1-one;(2E,6E)-2-[(Z)-3-(4-azidophenyl)prop-2-enylidene]-4-(hydroxymethyl)-6-[(Z)-3-(4-methylphenyl)prop-2-enylidene]cyclohexan-1-one;(2E,6E)-2-[(Z)-3-(4-azidophenyl)prop-2-enylidene]-4-hydroxy-6-[(Z)-3-(4-methylphenyl)prop-2-enylidene]cyclohexan-1-one;(Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one?

The IUPAC name of 1-azido-2-methoxy-4-(3-methoxy-4-methylphenyl)benzene;3-[(4-azidophenyl)methylidene]-5-[(4-methylphenyl)methylidene]-4-oxocyclohexane-1-carboxylic acid;2-[(4-azidophenyl)methylidene]-6-[(4-methylphenyl)methylidene]-4-trimethylsilylcyclohexan-1-one;(2E,6E)-2-[(Z)-3-(4-azidophenyl)prop-2-enylidene]-4-(hydroxymethyl)-6-[(Z)-3-(4-methylphenyl)prop-2-enylidene]cyclohexan-1-one;(2E,6E)-2-[(Z)-3-(4-azidophenyl)prop-2-enylidene]-4-hydroxy-6-[(Z)-3-(4-methylphenyl)prop-2-enylidene]cyclohexan-1-one;(Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one (CID 91521627) is 1-azido-2-methoxy-4-(3-methoxy-4-methylphenyl)benzene;3-[(4-azidophenyl)methylidene]-5-[(4-methylphenyl)methylidene]-4-oxocyclohexane-1-carboxylic acid;2-[(4-azidophenyl)methylidene]-6-[(4-methylphenyl)methylidene]-4-trimethylsilylcyclohexan-1-one;(2E,6E)-2-[(Z)-3-(4-azidophenyl)prop-2-enylidene]-4-(hydroxymethyl)-6-[(Z)-3-(4-methylphenyl)prop-2-enylidene]cyclohexan-1-one;(2E,6E)-2-[(Z)-3-(4-azidophenyl)prop-2-enylidene]-4-hydroxy-6-[(Z)-3-(4-methylphenyl)prop-2-enylidene]cyclohexan-1-one;(Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one.

What is the SMILES notation for 1-azido-2-methoxy-4-(3-methoxy-4-methylphenyl)benzene;3-[(4-azidophenyl)methylidene]-5-[(4-methylphenyl)methylidene]-4-oxocyclohexane-1-carboxylic acid;2-[(4-azidophenyl)methylidene]-6-[(4-methylphenyl)methylidene]-4-trimethylsilylcyclohexan-1-one;(2E,6E)-2-[(Z)-3-(4-azidophenyl)prop-2-enylidene]-4-(hydroxymethyl)-6-[(Z)-3-(4-methylphenyl)prop-2-enylidene]cyclohexan-1-one;(2E,6E)-2-[(Z)-3-(4-azidophenyl)prop-2-enylidene]-4-hydroxy-6-[(Z)-3-(4-methylphenyl)prop-2-enylidene]cyclohexan-1-one;(Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one?

The canonical SMILES for 1-azido-2-methoxy-4-(3-methoxy-4-methylphenyl)benzene;3-[(4-azidophenyl)methylidene]-5-[(4-methylphenyl)methylidene]-4-oxocyclohexane-1-carboxylic acid;2-[(4-azidophenyl)methylidene]-6-[(4-methylphenyl)methylidene]-4-trimethylsilylcyclohexan-1-one;(2E,6E)-2-[(Z)-3-(4-azidophenyl)prop-2-enylidene]-4-(hydroxymethyl)-6-[(Z)-3-(4-methylphenyl)prop-2-enylidene]cyclohexan-1-one;(2E,6E)-2-[(Z)-3-(4-azidophenyl)prop-2-enylidene]-4-hydroxy-6-[(Z)-3-(4-methylphenyl)prop-2-enylidene]cyclohexan-1-one;(Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one is COc1cc(-c2ccc(N=[N+]=[N-])c(OC)c2)ccc1C.Cc1ccc(/C=C\C=C2/CC(CO)C/C(=C\C=C/c3ccc(N=[N+]=[N-])cc3)C2=O)cc1.Cc1ccc(/C=C\C=C2/CC(O)C/C(=C\C=C/c3ccc(N=[N+]=[N-])cc3)C2=O)cc1.Cc1ccc(C=C2CC(C(=O)O)CC(=Cc3ccc(N=[N+]=[N-])cc3)C2=O)cc1.Cc1ccc(C=C2CC([Si](C)(C)C)CC(=Cc3ccc(N=[N+]=[N-])cc3)C2=O)cc1.[N-]=[N+]=Nc1ccc(/C=C\C(=O)c2ccc(N=[N+]=[N-])cc2)cc1.

What is the InChIKey of 1-azido-2-methoxy-4-(3-methoxy-4-methylphenyl)benzene;3-[(4-azidophenyl)methylidene]-5-[(4-methylphenyl)methylidene]-4-oxocyclohexane-1-carboxylic acid;2-[(4-azidophenyl)methylidene]-6-[(4-methylphenyl)methylidene]-4-trimethylsilylcyclohexan-1-one;(2E,6E)-2-[(Z)-3-(4-azidophenyl)prop-2-enylidene]-4-(hydroxymethyl)-6-[(Z)-3-(4-methylphenyl)prop-2-enylidene]cyclohexan-1-one;(2E,6E)-2-[(Z)-3-(4-azidophenyl)prop-2-enylidene]-4-hydroxy-6-[(Z)-3-(4-methylphenyl)prop-2-enylidene]cyclohexan-1-one;(Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one?

The InChIKey is CMYRWEJIWPOXHH-GPGHJISJSA-N. The full InChI is InChI=1S/C26H25N3O2.C25H23N3O2.C24H27N3OSi.C22H19N3O3.C15H10N6O.C15H15N3O2/c1-19-8-10-20(11-9-19)4-2-6-23-16-22(18-30)17-24(26(23)31)7-3-5-21-12-14-25(15-13-21)28-29-27;1-18-8-10-19(11-9-18)4-2-6-21-16-24(29)17-22(25(21)30)7-3-5-20-12-14-23(15-13-20)27-28-26;1-17-5-7-18(8-6-17)13-20-15-23(29(2,3)4)16-21(24(20)28)14-19-9-11-22(12-10-19)26-27-25;1-14-2-4-15(5-3-14)10-17-12-19(22(27)28)13-18(21(17)26)11-16-6-8-20(9-7-16)24-25-23;16-20-18-13-6-1-11(2-7-13)3-10-15(22)12-4-8-14(9-5-12)19-21-17;1-10-4-5-11(8-14(10)19-2)12-6-7-13(17-18-16)15(9-12)20-3/h2-15,22,30H,16-18H2,1H3;2-15,24,29H,16-17H2,1H3;5-14,23H,15-16H2,1-4H3;2-11,19H,12-13H2,1H3,(H,27,28);1-10H;4-9H,1-3H3/b4-2-,5-3-,23-6+,24-7+;4-2-,5-3-,21-6+,22-7+;;;10-3-;.

What are the key properties of 1-azido-2-methoxy-4-(3-methoxy-4-methylphenyl)benzene;3-[(4-azidophenyl)methylidene]-5-[(4-methylphenyl)methylidene]-4-oxocyclohexane-1-carboxylic acid;2-[(4-azidophenyl)methylidene]-6-[(4-methylphenyl)methylidene]-4-trimethylsilylcyclohexan-1-one;(2E,6E)-2-[(Z)-3-(4-azidophenyl)prop-2-enylidene]-4-(hydroxymethyl)-6-[(Z)-3-(4-methylphenyl)prop-2-enylidene]cyclohexan-1-one;(2E,6E)-2-[(Z)-3-(4-azidophenyl)prop-2-enylidene]-4-hydroxy-6-[(Z)-3-(4-methylphenyl)prop-2-enylidene]cyclohexan-1-one;(Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one?

1-azido-2-methoxy-4-(3-methoxy-4-methylphenyl)benzene;3-[(4-azidophenyl)methylidene]-5-[(4-methylphenyl)methylidene]-4-oxocyclohexane-1-carboxylic acid;2-[(4-azidophenyl)methylidene]-6-[(4-methylphenyl)methylidene]-4-trimethylsilylcyclohexan-1-one;(2E,6E)-2-[(Z)-3-(4-azidophenyl)prop-2-enylidene]-4-(hydroxymethyl)-6-[(Z)-3-(4-methylphenyl)prop-2-enylidene]cyclohexan-1-one;(2E,6E)-2-[(Z)-3-(4-azidophenyl)prop-2-enylidene]-4-hydroxy-6-[(Z)-3-(4-methylphenyl)prop-2-enylidene]cyclohexan-1-one;(Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one has a molecular weight of 2143.57 g/mol, XLogP of 35.76, 28 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-azido-2-methoxy-4-(3-methoxy-4-methylphenyl)benzene;3-[(4-azidophenyl)methylidene]-5-[(4-methylphenyl)methylidene]-4-oxocyclohexane-1-carboxylic acid;2-[(4-azidophenyl)methylidene]-6-[(4-methylphenyl)methylidene]-4-trimethylsilylcyclohexan-1-one;(2E,6E)-2-[(Z)-3-(4-azidophenyl)prop-2-enylidene]-4-(hydroxymethyl)-6-[(Z)-3-(4-methylphenyl)prop-2-enylidene]cyclohexan-1-one;(2E,6E)-2-[(Z)-3-(4-azidophenyl)prop-2-enylidene]-4-hydroxy-6-[(Z)-3-(4-methylphenyl)prop-2-enylidene]cyclohexan-1-one;(Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one is sourced from PubChem (CID 91521627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).