bis(4-methoxyphenyl)-[5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol

C33H37NO6 — CID 46017764

About bis(4-methoxyphenyl)-[5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol

bis(4-methoxyphenyl)-[5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol (PubChem CID 46017764) has the molecular formula C33H37NO6 and a molecular weight of 543.66 g/mol. Its IUPAC name is bis(4-methoxyphenyl)-[5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol.

Molecular Properties

• Compound Name: bis(4-methoxyphenyl)-[5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol
• PubChem CID: 46017764
• Molecular Formula: C33H37NO6
• Molecular Weight: 543.66 g/mol
• Exact Mass: 543.26
• IUPAC Name: bis(4-methoxyphenyl)-[5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol
• SMILES: COc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(CN(Cc3cccc(OC)c3)CC3CCCO3)o2)cc1
• InChI: InChI=1S/C33H37NO6/c1-36-27-13-9-25(10-14-27)33(35,26-11-15-28(37-2)16-12-26)32-18-17-31(40-32)23-34(22-30-8-5-19-39-30)21-24-6-4-7-29(20-24)38-3/h4,6-7,9-18,20,30,35H,5,8,19,21-23H2,1-3H3
• InChIKey: WKORIHDNFSHWBQ-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 73.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.66
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of bis(4-methoxyphenyl)-[5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol?

The IUPAC name of bis(4-methoxyphenyl)-[5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol (CID 46017764) is bis(4-methoxyphenyl)-[5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol.

What is the SMILES notation for bis(4-methoxyphenyl)-[5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol?

The canonical SMILES for bis(4-methoxyphenyl)-[5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol is COc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(CN(Cc3cccc(OC)c3)CC3CCCO3)o2)cc1.

What is the InChIKey of bis(4-methoxyphenyl)-[5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol?

The InChIKey is WKORIHDNFSHWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37NO6/c1-36-27-13-9-25(10-14-27)33(35,26-11-15-28(37-2)16-12-26)32-18-17-31(40-32)23-34(22-30-8-5-19-39-30)21-24-6-4-7-29(20-24)38-3/h4,6-7,9-18,20,30,35H,5,8,19,21-23H2,1-3H3.

What are the key properties of bis(4-methoxyphenyl)-[5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol?

bis(4-methoxyphenyl)-[5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol has a molecular weight of 543.66 g/mol, XLogP of 5.77, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-methoxyphenyl)-[5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 46017764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).