5-[2-[(2R)-2-azidopropyl]-4,6-di(propan-2-yloxy)phenyl]-1-methoxy-3-methyl-8-phenylmethoxynaphthalene

C34H39N3O4 — CID 11455686

About 5-[2-[(2R)-2-azidopropyl]-4,6-di(propan-2-yloxy)phenyl]-1-methoxy-3-methyl-8-phenylmethoxynaphthalene

5-[2-[(2R)-2-azidopropyl]-4,6-di(propan-2-yloxy)phenyl]-1-methoxy-3-methyl-8-phenylmethoxynaphthalene (PubChem CID 11455686) has the molecular formula C34H39N3O4 and a molecular weight of 553.70 g/mol. Its IUPAC name is 5-[2-[(2R)-2-azidopropyl]-4,6-di(propan-2-yloxy)phenyl]-1-methoxy-3-methyl-8-phenylmethoxynaphthalene.

Molecular Properties

• Compound Name: 5-[2-[(2R)-2-azidopropyl]-4,6-di(propan-2-yloxy)phenyl]-1-methoxy-3-methyl-8-phenylmethoxynaphthalene
• PubChem CID: 11455686
• Molecular Formula: C34H39N3O4
• Molecular Weight: 553.70 g/mol
• Exact Mass: 553.29
• IUPAC Name: 5-[2-[(2R)-2-azidopropyl]-4,6-di(propan-2-yloxy)phenyl]-1-methoxy-3-methyl-8-phenylmethoxynaphthalene
• SMILES: COc1cc(C)cc2c(-c3c(C[C@@H](C)N=[N+]=[N-])cc(OC(C)C)cc3OC(C)C)ccc(OCc3ccccc3)c12
• InChI: InChI=1S/C34H39N3O4/c1-21(2)40-27-18-26(17-24(6)36-37-35)33(32(19-27)41-22(3)4)28-13-14-30(39-20-25-11-9-8-10-12-25)34-29(28)15-23(5)16-31(34)38-7/h8-16,18-19,21-22,24H,17,20H2,1-7H3/t24-/m1/s1
• InChIKey: ZRNKVRXRLCTOFR-XMMPIXPASA-N
• XLogP: 9.22
• TPSA: 85.68 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.70
LogP ≤ 5	9.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-2-azidopropyl]-4,6-di(propan-2-yloxy)phenyl]-1-methoxy-3-methyl-8-phenylmethoxynaphthalene?

The IUPAC name of 5-[2-[(2R)-2-azidopropyl]-4,6-di(propan-2-yloxy)phenyl]-1-methoxy-3-methyl-8-phenylmethoxynaphthalene (CID 11455686) is 5-[2-[(2R)-2-azidopropyl]-4,6-di(propan-2-yloxy)phenyl]-1-methoxy-3-methyl-8-phenylmethoxynaphthalene.

What is the SMILES notation for 5-[2-[(2R)-2-azidopropyl]-4,6-di(propan-2-yloxy)phenyl]-1-methoxy-3-methyl-8-phenylmethoxynaphthalene?

The canonical SMILES for 5-[2-[(2R)-2-azidopropyl]-4,6-di(propan-2-yloxy)phenyl]-1-methoxy-3-methyl-8-phenylmethoxynaphthalene is COc1cc(C)cc2c(-c3c(C[C@@H](C)N=[N+]=[N-])cc(OC(C)C)cc3OC(C)C)ccc(OCc3ccccc3)c12.

What is the InChIKey of 5-[2-[(2R)-2-azidopropyl]-4,6-di(propan-2-yloxy)phenyl]-1-methoxy-3-methyl-8-phenylmethoxynaphthalene?

The InChIKey is ZRNKVRXRLCTOFR-XMMPIXPASA-N. The full InChI is InChI=1S/C34H39N3O4/c1-21(2)40-27-18-26(17-24(6)36-37-35)33(32(19-27)41-22(3)4)28-13-14-30(39-20-25-11-9-8-10-12-25)34-29(28)15-23(5)16-31(34)38-7/h8-16,18-19,21-22,24H,17,20H2,1-7H3/t24-/m1/s1.

What are the key properties of 5-[2-[(2R)-2-azidopropyl]-4,6-di(propan-2-yloxy)phenyl]-1-methoxy-3-methyl-8-phenylmethoxynaphthalene?

5-[2-[(2R)-2-azidopropyl]-4,6-di(propan-2-yloxy)phenyl]-1-methoxy-3-methyl-8-phenylmethoxynaphthalene has a molecular weight of 553.70 g/mol, XLogP of 9.22, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(2R)-2-azidopropyl]-4,6-di(propan-2-yloxy)phenyl]-1-methoxy-3-methyl-8-phenylmethoxynaphthalene is sourced from PubChem (CID 11455686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).