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

C31H30O5 — CID 172871162

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

5-[2-[3-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-1,3-benzodioxole (PubChem CID 172871162) has the molecular formula C31H30O5 and a molecular weight of 482.58 g/mol. Its IUPAC name is 5-[2-[3-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-1,3-benzodioxole.

Molecular Properties

• Compound Name: 5-[2-[3-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-1,3-benzodioxole
• PubChem CID: 172871162
• Molecular Formula: C31H30O5
• Molecular Weight: 482.58 g/mol
• Exact Mass: 482.21
• IUPAC Name: 5-[2-[3-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-1,3-benzodioxole
• SMILES: COc1ccc(CCc2cc(OC)cc(Oc3cccc(CCc4ccc5c(c4)OCO5)c3)c2)cc1
• InChI: InChI=1S/C31H30O5/c1-32-26-13-10-22(11-14-26)6-9-25-17-28(33-2)20-29(18-25)36-27-5-3-4-23(16-27)7-8-24-12-15-30-31(19-24)35-21-34-30/h3-5,10-20H,6-9,21H2,1-2H3
• InChIKey: YTSWQBSWNMYGDU-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.58
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[2-[3-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-1,3-benzodioxole (CID 172871162) is 5-[2-[3-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-1,3-benzodioxole.

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

The canonical SMILES for 5-[2-[3-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-1,3-benzodioxole is COc1ccc(CCc2cc(OC)cc(Oc3cccc(CCc4ccc5c(c4)OCO5)c3)c2)cc1.

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

The InChIKey is YTSWQBSWNMYGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30O5/c1-32-26-13-10-22(11-14-26)6-9-25-17-28(33-2)20-29(18-25)36-27-5-3-4-23(16-27)7-8-24-12-15-30-31(19-24)35-21-34-30/h3-5,10-20H,6-9,21H2,1-2H3.

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

5-[2-[3-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-1,3-benzodioxole has a molecular weight of 482.58 g/mol, XLogP of 6.80, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[3-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-1,3-benzodioxole is sourced from PubChem (CID 172871162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).