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

C33H36O6 — CID 172870908

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

1,2,3-trimethoxy-5-[2-[4-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene (PubChem CID 172870908) has the molecular formula C33H36O6 and a molecular weight of 528.65 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-[2-[4-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene.

Molecular Properties

• Compound Name: 1,2,3-trimethoxy-5-[2-[4-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
• PubChem CID: 172870908
• Molecular Formula: C33H36O6
• Molecular Weight: 528.65 g/mol
• Exact Mass: 528.25
• IUPAC Name: 1,2,3-trimethoxy-5-[2-[4-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
• SMILES: COc1cccc(CCc2ccc(OC)c(Oc3ccc(CCc4cc(OC)c(OC)c(OC)c4)cc3)c2)c1
• InChI: InChI=1S/C33H36O6/c1-34-28-8-6-7-24(19-28)10-11-25-15-18-29(35-2)30(20-25)39-27-16-13-23(14-17-27)9-12-26-21-31(36-3)33(38-5)32(22-26)37-4/h6-8,13-22H,9-12H2,1-5H3
• InChIKey: HUOXRHXVKMSHRH-UHFFFAOYSA-N
• XLogP: 7.09
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.65
LogP ≤ 5	7.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1,2,3-trimethoxy-5-[2-[4-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene (CID 172870908) is 1,2,3-trimethoxy-5-[2-[4-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene.

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

The canonical SMILES for 1,2,3-trimethoxy-5-[2-[4-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene is COc1cccc(CCc2ccc(OC)c(Oc3ccc(CCc4cc(OC)c(OC)c(OC)c4)cc3)c2)c1.

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

The InChIKey is HUOXRHXVKMSHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36O6/c1-34-28-8-6-7-24(19-28)10-11-25-15-18-29(35-2)30(20-25)39-27-16-13-23(14-17-27)9-12-26-21-31(36-3)33(38-5)32(22-26)37-4/h6-8,13-22H,9-12H2,1-5H3.

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

1,2,3-trimethoxy-5-[2-[4-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene has a molecular weight of 528.65 g/mol, XLogP of 7.09, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3-trimethoxy-5-[2-[4-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene is sourced from PubChem (CID 172870908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).