1-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-methoxyphenoxy]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene

C34H38O7 — CID 172871343

About 1-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-methoxyphenoxy]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene

1-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-methoxyphenoxy]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene (PubChem CID 172871343) has the molecular formula C34H38O7 and a molecular weight of 558.67 g/mol. Its IUPAC name is 1-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-methoxyphenoxy]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene.

Molecular Properties

• Compound Name: 1-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-methoxyphenoxy]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene
• PubChem CID: 172871343
• Molecular Formula: C34H38O7
• Molecular Weight: 558.67 g/mol
• Exact Mass: 558.26
• IUPAC Name: 1-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-methoxyphenoxy]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene
• SMILES: COc1cccc(CCc2cc(Oc3cc(CCc4cc(OC)cc(OC)c4)ccc3OC)c(OC)cc2OC)c1
• InChI: InChI=1S/C34H38O7/c1-35-27-9-7-8-23(16-27)12-14-26-20-34(32(40-6)22-31(26)39-5)41-33-19-24(13-15-30(33)38-4)10-11-25-17-28(36-2)21-29(18-25)37-3/h7-9,13,15-22H,10-12,14H2,1-6H3
• InChIKey: MDZAIAZQCDFOMO-UHFFFAOYSA-N
• XLogP: 7.10
• TPSA: 64.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.67
LogP ≤ 5	7.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-methoxyphenoxy]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene?

The IUPAC name of 1-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-methoxyphenoxy]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene (CID 172871343) is 1-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-methoxyphenoxy]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene.

What is the SMILES notation for 1-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-methoxyphenoxy]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene?

The canonical SMILES for 1-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-methoxyphenoxy]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene is COc1cccc(CCc2cc(Oc3cc(CCc4cc(OC)cc(OC)c4)ccc3OC)c(OC)cc2OC)c1.

What is the InChIKey of 1-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-methoxyphenoxy]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene?

The InChIKey is MDZAIAZQCDFOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O7/c1-35-27-9-7-8-23(16-27)12-14-26-20-34(32(40-6)22-31(26)39-5)41-33-19-24(13-15-30(33)38-4)10-11-25-17-28(36-2)21-29(18-25)37-3/h7-9,13,15-22H,10-12,14H2,1-6H3.

What are the key properties of 1-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-methoxyphenoxy]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene?

1-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-methoxyphenoxy]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene has a molecular weight of 558.67 g/mol, XLogP of 7.10, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-methoxyphenoxy]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene is sourced from PubChem (CID 172871343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).