2,6-dimethoxy-4-[(2R,3R)-4-methoxy-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(methoxymethyl)butyl]phenol

C24H32O8 — CID 5491556

About 2,6-dimethoxy-4-[(2R,3R)-4-methoxy-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(methoxymethyl)butyl]phenol

2,6-dimethoxy-4-[(2R,3R)-4-methoxy-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(methoxymethyl)butyl]phenol (PubChem CID 5491556) has the molecular formula C24H32O8 and a molecular weight of 448.51 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[(2R,3R)-4-methoxy-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(methoxymethyl)butyl]phenol.

Molecular Properties

• Compound Name: 2,6-dimethoxy-4-[(2R,3R)-4-methoxy-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(methoxymethyl)butyl]phenol
• PubChem CID: 5491556
• Molecular Formula: C24H32O8
• Molecular Weight: 448.51 g/mol
• Exact Mass: 448.21
• IUPAC Name: 2,6-dimethoxy-4-[(2R,3R)-4-methoxy-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(methoxymethyl)butyl]phenol
• SMILES: COC[C@H](Cc1cc(OC)c(O)c(OC)c1)[C@H](COC)Cc1cc(OC)c2c(c1)OCO2
• InChI: InChI=1S/C24H32O8/c1-26-12-17(6-15-8-19(28-3)23(25)20(9-15)29-4)18(13-27-2)7-16-10-21(30-5)24-22(11-16)31-14-32-24/h8-11,17-18,25H,6-7,12-14H2,1-5H3/t17-,18-/m0/s1
• InChIKey: RYZNPFYAGDHZDT-ROUUACIJSA-N
• XLogP: 3.46
• TPSA: 84.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.51
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[(2R,3R)-4-methoxy-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(methoxymethyl)butyl]phenol?

The IUPAC name of 2,6-dimethoxy-4-[(2R,3R)-4-methoxy-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(methoxymethyl)butyl]phenol (CID 5491556) is 2,6-dimethoxy-4-[(2R,3R)-4-methoxy-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(methoxymethyl)butyl]phenol.

What is the SMILES notation for 2,6-dimethoxy-4-[(2R,3R)-4-methoxy-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(methoxymethyl)butyl]phenol?

The canonical SMILES for 2,6-dimethoxy-4-[(2R,3R)-4-methoxy-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(methoxymethyl)butyl]phenol is COC[C@H](Cc1cc(OC)c(O)c(OC)c1)[C@H](COC)Cc1cc(OC)c2c(c1)OCO2.

What is the InChIKey of 2,6-dimethoxy-4-[(2R,3R)-4-methoxy-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(methoxymethyl)butyl]phenol?

The InChIKey is RYZNPFYAGDHZDT-ROUUACIJSA-N. The full InChI is InChI=1S/C24H32O8/c1-26-12-17(6-15-8-19(28-3)23(25)20(9-15)29-4)18(13-27-2)7-16-10-21(30-5)24-22(11-16)31-14-32-24/h8-11,17-18,25H,6-7,12-14H2,1-5H3/t17-,18-/m0/s1.

What are the key properties of 2,6-dimethoxy-4-[(2R,3R)-4-methoxy-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(methoxymethyl)butyl]phenol?

2,6-dimethoxy-4-[(2R,3R)-4-methoxy-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(methoxymethyl)butyl]phenol has a molecular weight of 448.51 g/mol, XLogP of 3.46, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethoxy-4-[(2R,3R)-4-methoxy-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(methoxymethyl)butyl]phenol is sourced from PubChem (CID 5491556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).