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

C32H34FNO5 — CID 46017709

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

[5-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol (PubChem CID 46017709) has the molecular formula C32H34FNO5 and a molecular weight of 531.62 g/mol. Its IUPAC name is [5-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol.

Molecular Properties

• Compound Name: [5-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol
• PubChem CID: 46017709
• Molecular Formula: C32H34FNO5
• Molecular Weight: 531.62 g/mol
• Exact Mass: 531.24
• IUPAC Name: [5-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol
• SMILES: COc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(CN(Cc3cccc(F)c3)CC3CCCO3)o2)cc1
• InChI: InChI=1S/C32H34FNO5/c1-36-27-12-8-24(9-13-27)32(35,25-10-14-28(37-2)15-11-25)31-17-16-30(39-31)22-34(21-29-7-4-18-38-29)20-23-5-3-6-26(33)19-23/h3,5-6,8-17,19,29,35H,4,7,18,20-22H2,1-2H3
• InChIKey: RHJWCXFYBMIVSS-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 64.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.62
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [5-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol (CID 46017709) is [5-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol.

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

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

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

The InChIKey is RHJWCXFYBMIVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FNO5/c1-36-27-12-8-24(9-13-27)32(35,25-10-14-28(37-2)15-11-25)31-17-16-30(39-31)22-34(21-29-7-4-18-38-29)20-23-5-3-6-26(33)19-23/h3,5-6,8-17,19,29,35H,4,7,18,20-22H2,1-2H3.

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

[5-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol has a molecular weight of 531.62 g/mol, XLogP of 5.90, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol is sourced from PubChem (CID 46017709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).