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

C31H32O5 — CID 172871379

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

4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]phenol (PubChem CID 172871379) has the molecular formula C31H32O5 and a molecular weight of 484.59 g/mol. Its IUPAC name is 4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]phenol.

Molecular Properties

• Compound Name: 4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]phenol
• PubChem CID: 172871379
• Molecular Formula: C31H32O5
• Molecular Weight: 484.59 g/mol
• Exact Mass: 484.22
• IUPAC Name: 4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]phenol
• SMILES: COc1cccc(CCc2cc(Oc3ccc(CCc4ccc(O)cc4)cc3)c(OC)cc2OC)c1
• InChI: InChI=1S/C31H32O5/c1-33-28-6-4-5-24(19-28)9-14-25-20-31(30(35-3)21-29(25)34-2)36-27-17-12-23(13-18-27)8-7-22-10-15-26(32)16-11-22/h4-6,10-13,15-21,32H,7-9,14H2,1-3H3
• InChIKey: RQUVPRYTSDIRTE-UHFFFAOYSA-N
• XLogP: 6.78
• TPSA: 57.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.59
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]phenol (CID 172871379) is 4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]phenol.

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

The canonical SMILES for 4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]phenol is COc1cccc(CCc2cc(Oc3ccc(CCc4ccc(O)cc4)cc3)c(OC)cc2OC)c1.

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

The InChIKey is RQUVPRYTSDIRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32O5/c1-33-28-6-4-5-24(19-28)9-14-25-20-31(30(35-3)21-29(25)34-2)36-27-17-12-23(13-18-27)8-7-22-10-15-26(32)16-11-22/h4-6,10-13,15-21,32H,7-9,14H2,1-3H3.

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

4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]phenol has a molecular weight of 484.59 g/mol, XLogP of 6.78, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]phenol is sourced from PubChem (CID 172871379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).