4-methoxy-6-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-1,3-benzodioxole

C32H32O6 — CID 172870901

About 4-methoxy-6-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-1,3-benzodioxole

4-methoxy-6-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-1,3-benzodioxole (PubChem CID 172870901) has the molecular formula C32H32O6 and a molecular weight of 512.60 g/mol. Its IUPAC name is 4-methoxy-6-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-1,3-benzodioxole.

Molecular Properties

• Compound Name: 4-methoxy-6-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-1,3-benzodioxole
• PubChem CID: 172870901
• Molecular Formula: C32H32O6
• Molecular Weight: 512.60 g/mol
• Exact Mass: 512.22
• IUPAC Name: 4-methoxy-6-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-1,3-benzodioxole
• SMILES: COc1cccc(CCc2ccc(OC)c(Oc3cccc(CCc4cc(OC)c5c(c4)OCO5)c3)c2)c1
• InChI: InChI=1S/C32H32O6/c1-33-26-8-4-6-22(16-26)10-11-24-14-15-28(34-2)29(18-24)38-27-9-5-7-23(17-27)12-13-25-19-30(35-3)32-31(20-25)36-21-37-32/h4-9,14-20H,10-13,21H2,1-3H3
• InChIKey: VCSBFCBMJQEVOP-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.60
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-1,3-benzodioxole?

The IUPAC name of 4-methoxy-6-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-1,3-benzodioxole (CID 172870901) is 4-methoxy-6-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-1,3-benzodioxole.

What is the SMILES notation for 4-methoxy-6-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-1,3-benzodioxole?

The canonical SMILES for 4-methoxy-6-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-1,3-benzodioxole is COc1cccc(CCc2ccc(OC)c(Oc3cccc(CCc4cc(OC)c5c(c4)OCO5)c3)c2)c1.

What is the InChIKey of 4-methoxy-6-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-1,3-benzodioxole?

The InChIKey is VCSBFCBMJQEVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O6/c1-33-26-8-4-6-22(16-26)10-11-24-14-15-28(34-2)29(18-24)38-27-9-5-7-23(17-27)12-13-25-19-30(35-3)32-31(20-25)36-21-37-32/h4-9,14-20H,10-13,21H2,1-3H3.

What are the key properties of 4-methoxy-6-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-1,3-benzodioxole?

4-methoxy-6-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-1,3-benzodioxole has a molecular weight of 512.60 g/mol, XLogP of 6.80, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-6-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-1,3-benzodioxole is sourced from PubChem (CID 172870901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).