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

C32H34O5 — CID 172871054

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

1,3-dimethoxy-5-[2-[4-[3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene (PubChem CID 172871054) has the molecular formula C32H34O5 and a molecular weight of 498.62 g/mol. Its IUPAC name is 1,3-dimethoxy-5-[2-[4-[3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene.

Molecular Properties

• Compound Name: 1,3-dimethoxy-5-[2-[4-[3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
• PubChem CID: 172871054
• Molecular Formula: C32H34O5
• Molecular Weight: 498.62 g/mol
• Exact Mass: 498.24
• IUPAC Name: 1,3-dimethoxy-5-[2-[4-[3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
• SMILES: COc1cccc(CCc2cc(OC)cc(Oc3ccc(CCc4cc(OC)cc(OC)c4)cc3)c2)c1
• InChI: InChI=1S/C32H34O5/c1-33-28-7-5-6-24(16-28)9-11-26-19-31(36-4)22-32(20-26)37-27-14-12-23(13-15-27)8-10-25-17-29(34-2)21-30(18-25)35-3/h5-7,12-22H,8-11H2,1-4H3
• InChIKey: OFHZVUCRSZLINM-UHFFFAOYSA-N
• XLogP: 7.08
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.62
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1,3-dimethoxy-5-[2-[4-[3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene (CID 172871054) is 1,3-dimethoxy-5-[2-[4-[3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene.

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

The canonical SMILES for 1,3-dimethoxy-5-[2-[4-[3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene is COc1cccc(CCc2cc(OC)cc(Oc3ccc(CCc4cc(OC)cc(OC)c4)cc3)c2)c1.

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

The InChIKey is OFHZVUCRSZLINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O5/c1-33-28-7-5-6-24(16-28)9-11-26-19-31(36-4)22-32(20-26)37-27-14-12-23(13-15-27)8-10-25-17-29(34-2)21-30(18-25)35-3/h5-7,12-22H,8-11H2,1-4H3.

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

1,3-dimethoxy-5-[2-[4-[3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene has a molecular weight of 498.62 g/mol, XLogP of 7.08, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethoxy-5-[2-[4-[3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene is sourced from PubChem (CID 172871054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).