4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]-3-methoxyphenyl]ethyl]-2-methoxyphenol

C33H36O7 — CID 172871341

About 4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]-3-methoxyphenyl]ethyl]-2-methoxyphenol

4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]-3-methoxyphenyl]ethyl]-2-methoxyphenol (PubChem CID 172871341) has the molecular formula C33H36O7 and a molecular weight of 544.64 g/mol. Its IUPAC name is 4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]-3-methoxyphenyl]ethyl]-2-methoxyphenol.

Molecular Properties

• Compound Name: 4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]-3-methoxyphenyl]ethyl]-2-methoxyphenol
• PubChem CID: 172871341
• Molecular Formula: C33H36O7
• Molecular Weight: 544.64 g/mol
• Exact Mass: 544.25
• IUPAC Name: 4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]-3-methoxyphenyl]ethyl]-2-methoxyphenol
• SMILES: COc1cccc(CCc2cc(Oc3ccc(CCc4ccc(O)c(OC)c4)cc3OC)c(OC)cc2OC)c1
• InChI: InChI=1S/C33H36O7/c1-35-26-8-6-7-22(17-26)11-14-25-20-33(32(39-5)21-29(25)36-2)40-28-16-13-24(19-31(28)38-4)10-9-23-12-15-27(34)30(18-23)37-3/h6-8,12-13,15-21,34H,9-11,14H2,1-5H3
• InChIKey: AICXOTVIGWWFEQ-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 75.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.64
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]-3-methoxyphenyl]ethyl]-2-methoxyphenol?

The IUPAC name of 4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]-3-methoxyphenyl]ethyl]-2-methoxyphenol (CID 172871341) is 4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]-3-methoxyphenyl]ethyl]-2-methoxyphenol.

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

The canonical SMILES for 4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]-3-methoxyphenyl]ethyl]-2-methoxyphenol is COc1cccc(CCc2cc(Oc3ccc(CCc4ccc(O)c(OC)c4)cc3OC)c(OC)cc2OC)c1.

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

The InChIKey is AICXOTVIGWWFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36O7/c1-35-26-8-6-7-22(17-26)11-14-25-20-33(32(39-5)21-29(25)36-2)40-28-16-13-24(19-31(28)38-4)10-9-23-12-15-27(34)30(18-23)37-3/h6-8,12-13,15-21,34H,9-11,14H2,1-5H3.

What are the key properties of 4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]-3-methoxyphenyl]ethyl]-2-methoxyphenol?

4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]-3-methoxyphenyl]ethyl]-2-methoxyphenol has a molecular weight of 544.64 g/mol, XLogP of 6.80, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]-3-methoxyphenyl]ethyl]-2-methoxyphenol is sourced from PubChem (CID 172871341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).