1,2-dimethoxy-4-[2-[4-methoxy-3-[3-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene

C32H34O5 — CID 172870751

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

1,2-dimethoxy-4-[2-[4-methoxy-3-[3-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene (PubChem CID 172870751) has the molecular formula C32H34O5 and a molecular weight of 498.62 g/mol. Its IUPAC name is 1,2-dimethoxy-4-[2-[4-methoxy-3-[3-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene.

Molecular Properties

• Compound Name: 1,2-dimethoxy-4-[2-[4-methoxy-3-[3-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
• PubChem CID: 172870751
• Molecular Formula: C32H34O5
• Molecular Weight: 498.62 g/mol
• Exact Mass: 498.24
• IUPAC Name: 1,2-dimethoxy-4-[2-[4-methoxy-3-[3-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
• SMILES: COc1cccc(CCc2cccc(Oc3cc(CCc4ccc(OC)c(OC)c4)ccc3OC)c2)c1
• InChI: InChI=1S/C32H34O5/c1-33-27-9-5-7-23(19-27)11-12-24-8-6-10-28(20-24)37-32-22-26(16-18-30(32)35-3)14-13-25-15-17-29(34-2)31(21-25)36-4/h5-10,15-22H,11-14H2,1-4H3
• InChIKey: CDXVKYFRWMYQLX-UHFFFAOYSA-N
• XLogP: 7.08
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.62
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1,2-dimethoxy-4-[2-[4-methoxy-3-[3-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene (CID 172870751) is 1,2-dimethoxy-4-[2-[4-methoxy-3-[3-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene.

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

The canonical SMILES for 1,2-dimethoxy-4-[2-[4-methoxy-3-[3-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene is COc1cccc(CCc2cccc(Oc3cc(CCc4ccc(OC)c(OC)c4)ccc3OC)c2)c1.

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

The InChIKey is CDXVKYFRWMYQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O5/c1-33-27-9-5-7-23(19-27)11-12-24-8-6-10-28(20-24)37-32-22-26(16-18-30(32)35-3)14-13-25-15-17-29(34-2)31(21-25)36-4/h5-10,15-22H,11-14H2,1-4H3.

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

1,2-dimethoxy-4-[2-[4-methoxy-3-[3-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene has a molecular weight of 498.62 g/mol, XLogP of 7.08, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethoxy-4-[2-[4-methoxy-3-[3-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene is sourced from PubChem (CID 172870751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).