8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3-(4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol

C35H36O8 — CID 162836633

About 8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3-(4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol

8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3-(4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol (PubChem CID 162836633) has the molecular formula C35H36O8 and a molecular weight of 584.67 g/mol. Its IUPAC name is 8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3-(4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

• Compound Name: 8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3-(4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
• PubChem CID: 162836633
• Molecular Formula: C35H36O8
• Molecular Weight: 584.67 g/mol
• Exact Mass: 584.24
• IUPAC Name: 8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3-(4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
• SMILES: CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC)cc3c2OCC(C2COc4ccc(OC)cc4C2O)C3O)cc1O
• InChI: InChI=1S/C35H36O8/c1-4-19-13-26(20-6-5-7-23(36)11-20)21(14-31(19)37)10-22-12-25(41-3)16-28-34(39)30(18-43-35(22)28)29-17-42-32-9-8-24(40-2)15-27(32)33(29)38/h5-9,11-16,29-30,33-34,36-39H,4,10,17-18H2,1-3H3
• InChIKey: KPEZOXKPCRAOEJ-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 117.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.67
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3-(4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?

The IUPAC name of 8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3-(4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol (CID 162836633) is 8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3-(4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol.

What is the SMILES notation for 8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3-(4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?

The canonical SMILES for 8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3-(4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol is CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC)cc3c2OCC(C2COc4ccc(OC)cc4C2O)C3O)cc1O.

What is the InChIKey of 8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3-(4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?

The InChIKey is KPEZOXKPCRAOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36O8/c1-4-19-13-26(20-6-5-7-23(36)11-20)21(14-31(19)37)10-22-12-25(41-3)16-28-34(39)30(18-43-35(22)28)29-17-42-32-9-8-24(40-2)15-27(32)33(29)38/h5-9,11-16,29-30,33-34,36-39H,4,10,17-18H2,1-3H3.

What are the key properties of 8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3-(4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?

8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3-(4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 584.67 g/mol, XLogP of 5.72, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3-(4-hydroxy-6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 162836633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).