5-[2-[3-hydroxy-4-methoxy-5-[3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-2-methoxybenzene-1,3-diol

C32H34O8 — CID 172871151

About 5-[2-[3-hydroxy-4-methoxy-5-[3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-2-methoxybenzene-1,3-diol

5-[2-[3-hydroxy-4-methoxy-5-[3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-2-methoxybenzene-1,3-diol (PubChem CID 172871151) has the molecular formula C32H34O8 and a molecular weight of 546.62 g/mol. Its IUPAC name is 5-[2-[3-hydroxy-4-methoxy-5-[3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-2-methoxybenzene-1,3-diol.

Molecular Properties

• Compound Name: 5-[2-[3-hydroxy-4-methoxy-5-[3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-2-methoxybenzene-1,3-diol
• PubChem CID: 172871151
• Molecular Formula: C32H34O8
• Molecular Weight: 546.62 g/mol
• Exact Mass: 546.23
• IUPAC Name: 5-[2-[3-hydroxy-4-methoxy-5-[3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-2-methoxybenzene-1,3-diol
• SMILES: COc1cccc(CCc2cc(OC)cc(Oc3cc(CCc4cc(O)c(OC)c(O)c4)cc(O)c3OC)c2)c1
• InChI: InChI=1S/C32H34O8/c1-36-24-7-5-6-20(12-24)8-9-21-13-25(37-2)19-26(14-21)40-30-18-23(17-29(35)32(30)39-4)11-10-22-15-27(33)31(38-3)28(34)16-22/h5-7,12-19,33-35H,8-11H2,1-4H3
• InChIKey: YAMNCXMZYKCZOV-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 106.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.62
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[2-[3-hydroxy-4-methoxy-5-[3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-2-methoxybenzene-1,3-diol (CID 172871151) is 5-[2-[3-hydroxy-4-methoxy-5-[3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-2-methoxybenzene-1,3-diol.

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

The canonical SMILES for 5-[2-[3-hydroxy-4-methoxy-5-[3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-2-methoxybenzene-1,3-diol is COc1cccc(CCc2cc(OC)cc(Oc3cc(CCc4cc(O)c(OC)c(O)c4)cc(O)c3OC)c2)c1.

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

The InChIKey is YAMNCXMZYKCZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O8/c1-36-24-7-5-6-20(12-24)8-9-21-13-25(37-2)19-26(14-21)40-30-18-23(17-29(35)32(30)39-4)11-10-22-15-27(33)31(38-3)28(34)16-22/h5-7,12-19,33-35H,8-11H2,1-4H3.

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

5-[2-[3-hydroxy-4-methoxy-5-[3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-2-methoxybenzene-1,3-diol has a molecular weight of 546.62 g/mol, XLogP of 6.20, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[3-hydroxy-4-methoxy-5-[3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-2-methoxybenzene-1,3-diol is sourced from PubChem (CID 172871151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).