6-cyclohexyloxy-3-[4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methoxypropyl)-7-(methylaminomethyl)-3,4-dihydro-2H-chromen-4-ol

C44H53NO9 — CID 162831226

About 6-cyclohexyloxy-3-[4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methoxypropyl)-7-(methylaminomethyl)-3,4-dihydro-2H-chromen-4-ol

6-cyclohexyloxy-3-[4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methoxypropyl)-7-(methylaminomethyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 162831226) has the molecular formula C44H53NO9 and a molecular weight of 739.91 g/mol. Its IUPAC name is 6-cyclohexyloxy-3-[4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methoxypropyl)-7-(methylaminomethyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

• Compound Name: 6-cyclohexyloxy-3-[4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methoxypropyl)-7-(methylaminomethyl)-3,4-dihydro-2H-chromen-4-ol
• PubChem CID: 162831226
• Molecular Formula: C44H53NO9
• Molecular Weight: 739.91 g/mol
• Exact Mass: 739.37
• IUPAC Name: 6-cyclohexyloxy-3-[4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methoxypropyl)-7-(methylaminomethyl)-3,4-dihydro-2H-chromen-4-ol
• SMILES: CNCc1cc2c(cc1OC1CCCCC1)C(O)C(C1COc3c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC)cc3C1O)C(CCCOC)O2
• InChI: InChI=1S/C44H53NO9/c1-45-24-29-21-40-35(23-39(29)53-32-11-5-4-6-12-32)43(49)41(38(54-40)13-8-16-50-2)37-25-52-44-28(20-33(51-3)22-36(44)42(37)48)17-27-19-31(47)14-15-34(27)26-9-7-10-30(46)18-26/h7,9-10,14-15,18-23,32,37-38,41-43,45-49H,4-6,8,11-13,16-17,24-25H2,1-3H3
• InChIKey: YDTLMDZWFOSZCF-UHFFFAOYSA-N
• XLogP: 7.37
• TPSA: 139.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.91
LogP ≤ 5	7.37
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyloxy-3-[4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methoxypropyl)-7-(methylaminomethyl)-3,4-dihydro-2H-chromen-4-ol?

The IUPAC name of 6-cyclohexyloxy-3-[4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methoxypropyl)-7-(methylaminomethyl)-3,4-dihydro-2H-chromen-4-ol (CID 162831226) is 6-cyclohexyloxy-3-[4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methoxypropyl)-7-(methylaminomethyl)-3,4-dihydro-2H-chromen-4-ol.

What is the SMILES notation for 6-cyclohexyloxy-3-[4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methoxypropyl)-7-(methylaminomethyl)-3,4-dihydro-2H-chromen-4-ol?

The canonical SMILES for 6-cyclohexyloxy-3-[4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methoxypropyl)-7-(methylaminomethyl)-3,4-dihydro-2H-chromen-4-ol is CNCc1cc2c(cc1OC1CCCCC1)C(O)C(C1COc3c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC)cc3C1O)C(CCCOC)O2.

What is the InChIKey of 6-cyclohexyloxy-3-[4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methoxypropyl)-7-(methylaminomethyl)-3,4-dihydro-2H-chromen-4-ol?

The InChIKey is YDTLMDZWFOSZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H53NO9/c1-45-24-29-21-40-35(23-39(29)53-32-11-5-4-6-12-32)43(49)41(38(54-40)13-8-16-50-2)37-25-52-44-28(20-33(51-3)22-36(44)42(37)48)17-27-19-31(47)14-15-34(27)26-9-7-10-30(46)18-26/h7,9-10,14-15,18-23,32,37-38,41-43,45-49H,4-6,8,11-13,16-17,24-25H2,1-3H3.

What are the key properties of 6-cyclohexyloxy-3-[4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methoxypropyl)-7-(methylaminomethyl)-3,4-dihydro-2H-chromen-4-ol?

6-cyclohexyloxy-3-[4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methoxypropyl)-7-(methylaminomethyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 739.91 g/mol, XLogP of 7.37, 13 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclohexyloxy-3-[4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methoxypropyl)-7-(methylaminomethyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 162831226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).