6-[4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-naphthalen-1-imine

C23H25Cl2NO3 — CID 139900584

About 6-[4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-naphthalen-1-imine

6-[4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-naphthalen-1-imine (PubChem CID 139900584) has the molecular formula C23H25Cl2NO3 and a molecular weight of 434.36 g/mol. Its IUPAC name is 6-[4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-naphthalen-1-imine.

Molecular Properties

• Compound Name: 6-[4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-naphthalen-1-imine
• PubChem CID: 139900584
• Molecular Formula: C23H25Cl2NO3
• Molecular Weight: 434.36 g/mol
• Exact Mass: 433.12
• IUPAC Name: 6-[4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-naphthalen-1-imine
• SMILES: CC(C)(C)ON=C1CCCc2cc(Oc3ccc(OCC=C(Cl)Cl)cc3)ccc21
• InChI: InChI=1S/C23H25Cl2NO3/c1-23(2,3)29-26-21-6-4-5-16-15-19(11-12-20(16)21)28-18-9-7-17(8-10-18)27-14-13-22(24)25/h7-13,15H,4-6,14H2,1-3H3
• InChIKey: WTCZHEJREMGZDN-UHFFFAOYSA-N
• XLogP: 7.03
• TPSA: 40.05 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.36
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-naphthalen-1-imine?

The IUPAC name of 6-[4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-naphthalen-1-imine (CID 139900584) is 6-[4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-naphthalen-1-imine.

What is the SMILES notation for 6-[4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-naphthalen-1-imine?

The canonical SMILES for 6-[4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-naphthalen-1-imine is CC(C)(C)ON=C1CCCc2cc(Oc3ccc(OCC=C(Cl)Cl)cc3)ccc21.

What is the InChIKey of 6-[4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-naphthalen-1-imine?

The InChIKey is WTCZHEJREMGZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2NO3/c1-23(2,3)29-26-21-6-4-5-16-15-19(11-12-20(16)21)28-18-9-7-17(8-10-18)27-14-13-22(24)25/h7-13,15H,4-6,14H2,1-3H3.

What are the key properties of 6-[4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-naphthalen-1-imine?

6-[4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-naphthalen-1-imine has a molecular weight of 434.36 g/mol, XLogP of 7.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-naphthalen-1-imine is sourced from PubChem (CID 139900584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).