5-[2-[5-[5-[2-(3,5-dihydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]benzene-1,3-diol

C32H34O8 — CID 172870578

About 5-[2-[5-[5-[2-(3,5-dihydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]benzene-1,3-diol

5-[2-[5-[5-[2-(3,5-dihydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]benzene-1,3-diol (PubChem CID 172870578) has the molecular formula C32H34O8 and a molecular weight of 546.62 g/mol. Its IUPAC name is 5-[2-[5-[5-[2-(3,5-dihydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]benzene-1,3-diol.

Molecular Properties

• Compound Name: 5-[2-[5-[5-[2-(3,5-dihydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]benzene-1,3-diol
• PubChem CID: 172870578
• Molecular Formula: C32H34O8
• Molecular Weight: 546.62 g/mol
• Exact Mass: 546.23
• IUPAC Name: 5-[2-[5-[5-[2-(3,5-dihydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]benzene-1,3-diol
• SMILES: COc1cc(OC)c(-c2cc(CCc3cc(O)cc(O)c3)c(OC)cc2OC)cc1CCc1cc(O)cc(O)c1
• InChI: InChI=1S/C32H34O8/c1-37-29-17-31(39-3)27(13-21(29)7-5-19-9-23(33)15-24(34)10-19)28-14-22(30(38-2)18-32(28)40-4)8-6-20-11-25(35)16-26(36)12-20/h9-18,33-36H,5-8H2,1-4H3
• InChIKey: ZKMTYWNLJKKEKG-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 117.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.62
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[2-[5-[5-[2-(3,5-dihydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]benzene-1,3-diol (CID 172870578) is 5-[2-[5-[5-[2-(3,5-dihydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]benzene-1,3-diol.

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

The canonical SMILES for 5-[2-[5-[5-[2-(3,5-dihydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]benzene-1,3-diol is COc1cc(OC)c(-c2cc(CCc3cc(O)cc(O)c3)c(OC)cc2OC)cc1CCc1cc(O)cc(O)c1.

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

The InChIKey is ZKMTYWNLJKKEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O8/c1-37-29-17-31(39-3)27(13-21(29)7-5-19-9-23(33)15-24(34)10-19)28-14-22(30(38-2)18-32(28)40-4)8-6-20-11-25(35)16-26(36)12-20/h9-18,33-36H,5-8H2,1-4H3.

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

5-[2-[5-[5-[2-(3,5-dihydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]benzene-1,3-diol has a molecular weight of 546.62 g/mol, XLogP of 5.78, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[5-[5-[2-(3,5-dihydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]benzene-1,3-diol is sourced from PubChem (CID 172870578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).