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

C31H32O4 — CID 172871209

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

1,2-dimethoxy-4-[2-[3-[3-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene (PubChem CID 172871209) has the molecular formula C31H32O4 and a molecular weight of 468.59 g/mol. Its IUPAC name is 1,2-dimethoxy-4-[2-[3-[3-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene.

Molecular Properties

• Compound Name: 1,2-dimethoxy-4-[2-[3-[3-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
• PubChem CID: 172871209
• Molecular Formula: C31H32O4
• Molecular Weight: 468.59 g/mol
• Exact Mass: 468.23
• IUPAC Name: 1,2-dimethoxy-4-[2-[3-[3-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
• SMILES: COc1ccc(CCc2cccc(Oc3cccc(CCc4ccc(OC)c(OC)c4)c3)c2)cc1
• InChI: InChI=1S/C31H32O4/c1-32-27-17-14-23(15-18-27)10-11-24-6-4-8-28(20-24)35-29-9-5-7-25(21-29)12-13-26-16-19-30(33-2)31(22-26)34-3/h4-9,14-22H,10-13H2,1-3H3
• InChIKey: RLEHYUOOOCOWBO-UHFFFAOYSA-N
• XLogP: 7.08
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.59
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1,2-dimethoxy-4-[2-[3-[3-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene (CID 172871209) is 1,2-dimethoxy-4-[2-[3-[3-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene.

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

The canonical SMILES for 1,2-dimethoxy-4-[2-[3-[3-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene is COc1ccc(CCc2cccc(Oc3cccc(CCc4ccc(OC)c(OC)c4)c3)c2)cc1.

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

The InChIKey is RLEHYUOOOCOWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32O4/c1-32-27-17-14-23(15-18-27)10-11-24-6-4-8-28(20-24)35-29-9-5-7-25(21-29)12-13-26-16-19-30(33-2)31(22-26)34-3/h4-9,14-22H,10-13H2,1-3H3.

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

1,2-dimethoxy-4-[2-[3-[3-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene has a molecular weight of 468.59 g/mol, XLogP of 7.08, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethoxy-4-[2-[3-[3-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene is sourced from PubChem (CID 172871209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).