2-methoxy-3-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]-5-[2-(3-methoxyphenyl)ethyl]phenol

C32H34O6 — CID 172871276

About 2-methoxy-3-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]-5-[2-(3-methoxyphenyl)ethyl]phenol

2-methoxy-3-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]-5-[2-(3-methoxyphenyl)ethyl]phenol (PubChem CID 172871276) has the molecular formula C32H34O6 and a molecular weight of 514.62 g/mol. Its IUPAC name is 2-methoxy-3-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]-5-[2-(3-methoxyphenyl)ethyl]phenol.

Molecular Properties

• Compound Name: 2-methoxy-3-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]-5-[2-(3-methoxyphenyl)ethyl]phenol
• PubChem CID: 172871276
• Molecular Formula: C32H34O6
• Molecular Weight: 514.62 g/mol
• Exact Mass: 514.24
• IUPAC Name: 2-methoxy-3-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]-5-[2-(3-methoxyphenyl)ethyl]phenol
• SMILES: COc1ccc(CCc2ccc(OC)c(Oc3cc(CCc4cccc(OC)c4)cc(O)c3OC)c2)cc1
• InChI: InChI=1S/C32H34O6/c1-34-26-15-12-22(13-16-26)8-9-24-14-17-29(36-3)30(20-24)38-31-21-25(19-28(33)32(31)37-4)11-10-23-6-5-7-27(18-23)35-2/h5-7,12-21,33H,8-11H2,1-4H3
• InChIKey: SENNESIPPCWCEL-UHFFFAOYSA-N
• XLogP: 6.79
• TPSA: 66.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.62
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-methoxy-3-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]-5-[2-(3-methoxyphenyl)ethyl]phenol (CID 172871276) is 2-methoxy-3-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]-5-[2-(3-methoxyphenyl)ethyl]phenol.

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

The canonical SMILES for 2-methoxy-3-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]-5-[2-(3-methoxyphenyl)ethyl]phenol is COc1ccc(CCc2ccc(OC)c(Oc3cc(CCc4cccc(OC)c4)cc(O)c3OC)c2)cc1.

What is the InChIKey of 2-methoxy-3-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]-5-[2-(3-methoxyphenyl)ethyl]phenol?

The InChIKey is SENNESIPPCWCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O6/c1-34-26-15-12-22(13-16-26)8-9-24-14-17-29(36-3)30(20-24)38-31-21-25(19-28(33)32(31)37-4)11-10-23-6-5-7-27(18-23)35-2/h5-7,12-21,33H,8-11H2,1-4H3.

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

2-methoxy-3-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]-5-[2-(3-methoxyphenyl)ethyl]phenol has a molecular weight of 514.62 g/mol, XLogP of 6.79, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-3-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]-5-[2-(3-methoxyphenyl)ethyl]phenol is sourced from PubChem (CID 172871276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).