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

C32H34O5 — CID 172870898

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

1,2-dimethoxy-4-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene (PubChem CID 172870898) has the molecular formula C32H34O5 and a molecular weight of 498.62 g/mol. Its IUPAC name is 1,2-dimethoxy-4-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene.

Molecular Properties

• Compound Name: 1,2-dimethoxy-4-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
• PubChem CID: 172870898
• Molecular Formula: C32H34O5
• Molecular Weight: 498.62 g/mol
• Exact Mass: 498.24
• IUPAC Name: 1,2-dimethoxy-4-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
• SMILES: COc1cccc(CCc2ccc(OC)c(Oc3cccc(CCc4ccc(OC)c(OC)c4)c3)c2)c1
• InChI: InChI=1S/C32H34O5/c1-33-27-9-5-7-23(19-27)11-14-26-16-18-30(35-3)32(22-26)37-28-10-6-8-24(20-28)12-13-25-15-17-29(34-2)31(21-25)36-4/h5-10,15-22H,11-14H2,1-4H3
• InChIKey: FVTBESAPKLTTCX-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-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene?

The IUPAC name of 1,2-dimethoxy-4-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene (CID 172870898) is 1,2-dimethoxy-4-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene.

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

The canonical SMILES for 1,2-dimethoxy-4-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene is COc1cccc(CCc2ccc(OC)c(Oc3cccc(CCc4ccc(OC)c(OC)c4)c3)c2)c1.

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

The InChIKey is FVTBESAPKLTTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O5/c1-33-27-9-5-7-23(19-27)11-14-26-16-18-30(35-3)32(22-26)37-28-10-6-8-24(20-28)12-13-25-15-17-29(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-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene?

1,2-dimethoxy-4-[2-[3-[2-methoxy-5-[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-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene is sourced from PubChem (CID 172870898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).