6-cyclopentyloxy-3-[6-cyclopentyloxy-4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3,4-dihydro-2H-chromen-3-yl]-4-[4-hydroxy-1-(methylamino)butan-2-yl]oxy-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromen-8-ol

C54H65NO11 — CID 162983849

About 6-cyclopentyloxy-3-[6-cyclopentyloxy-4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3,4-dihydro-2H-chromen-3-yl]-4-[4-hydroxy-1-(methylamino)butan-2-yl]oxy-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromen-8-ol

6-cyclopentyloxy-3-[6-cyclopentyloxy-4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3,4-dihydro-2H-chromen-3-yl]-4-[4-hydroxy-1-(methylamino)butan-2-yl]oxy-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromen-8-ol (PubChem CID 162983849) has the molecular formula C54H65NO11 and a molecular weight of 904.11 g/mol. Its IUPAC name is 6-cyclopentyloxy-3-[6-cyclopentyloxy-4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3,4-dihydro-2H-chromen-3-yl]-4-[4-hydroxy-1-(methylamino)butan-2-yl]oxy-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromen-8-ol.

Molecular Properties

• Compound Name: 6-cyclopentyloxy-3-[6-cyclopentyloxy-4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3,4-dihydro-2H-chromen-3-yl]-4-[4-hydroxy-1-(methylamino)butan-2-yl]oxy-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromen-8-ol
• PubChem CID: 162983849
• Molecular Formula: C54H65NO11
• Molecular Weight: 904.11 g/mol
• Exact Mass: 903.46
• IUPAC Name: 6-cyclopentyloxy-3-[6-cyclopentyloxy-4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3,4-dihydro-2H-chromen-3-yl]-4-[4-hydroxy-1-(methylamino)butan-2-yl]oxy-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromen-8-ol
• SMILES: CNCC(CCO)OC1c2cc(OC3CCCC3)c3cc(O)ccc3c2OC(CCCOC)C1C1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2C1O
• InChI: InChI=1S/C54H65NO11/c1-55-30-40(20-21-56)65-54-46-29-49(64-39-13-5-6-14-39)44-27-37(59)17-19-43(44)53(46)66-48(15-8-22-61-2)50(54)47-31-62-52-34(26-41(28-45(52)51(47)60)63-38-11-3-4-12-38)23-33-25-36(58)16-18-42(33)32-9-7-10-35(57)24-32/h7,9-10,16-19,24-29,38-40,47-48,50-51,54-60H,3-6,8,11-15,20-23,30-31H2,1-2H3
• InChIKey: FBCKFGRFNMZBIA-UHFFFAOYSA-N
• XLogP: 9.43
• TPSA: 168.56 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	904.11
LogP ≤ 5	9.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyloxy-3-[6-cyclopentyloxy-4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3,4-dihydro-2H-chromen-3-yl]-4-[4-hydroxy-1-(methylamino)butan-2-yl]oxy-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromen-8-ol?

The IUPAC name of 6-cyclopentyloxy-3-[6-cyclopentyloxy-4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3,4-dihydro-2H-chromen-3-yl]-4-[4-hydroxy-1-(methylamino)butan-2-yl]oxy-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromen-8-ol (CID 162983849) is 6-cyclopentyloxy-3-[6-cyclopentyloxy-4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3,4-dihydro-2H-chromen-3-yl]-4-[4-hydroxy-1-(methylamino)butan-2-yl]oxy-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromen-8-ol.

What is the SMILES notation for 6-cyclopentyloxy-3-[6-cyclopentyloxy-4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3,4-dihydro-2H-chromen-3-yl]-4-[4-hydroxy-1-(methylamino)butan-2-yl]oxy-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromen-8-ol?

The canonical SMILES for 6-cyclopentyloxy-3-[6-cyclopentyloxy-4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3,4-dihydro-2H-chromen-3-yl]-4-[4-hydroxy-1-(methylamino)butan-2-yl]oxy-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromen-8-ol is CNCC(CCO)OC1c2cc(OC3CCCC3)c3cc(O)ccc3c2OC(CCCOC)C1C1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2C1O.

What is the InChIKey of 6-cyclopentyloxy-3-[6-cyclopentyloxy-4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3,4-dihydro-2H-chromen-3-yl]-4-[4-hydroxy-1-(methylamino)butan-2-yl]oxy-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromen-8-ol?

The InChIKey is FBCKFGRFNMZBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H65NO11/c1-55-30-40(20-21-56)65-54-46-29-49(64-39-13-5-6-14-39)44-27-37(59)17-19-43(44)53(46)66-48(15-8-22-61-2)50(54)47-31-62-52-34(26-41(28-45(52)51(47)60)63-38-11-3-4-12-38)23-33-25-36(58)16-18-42(33)32-9-7-10-35(57)24-32/h7,9-10,16-19,24-29,38-40,47-48,50-51,54-60H,3-6,8,11-15,20-23,30-31H2,1-2H3.

What are the key properties of 6-cyclopentyloxy-3-[6-cyclopentyloxy-4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3,4-dihydro-2H-chromen-3-yl]-4-[4-hydroxy-1-(methylamino)butan-2-yl]oxy-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromen-8-ol?

6-cyclopentyloxy-3-[6-cyclopentyloxy-4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3,4-dihydro-2H-chromen-3-yl]-4-[4-hydroxy-1-(methylamino)butan-2-yl]oxy-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromen-8-ol has a molecular weight of 904.11 g/mol, XLogP of 9.43, 18 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopentyloxy-3-[6-cyclopentyloxy-4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3,4-dihydro-2H-chromen-3-yl]-4-[4-hydroxy-1-(methylamino)butan-2-yl]oxy-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromen-8-ol is sourced from PubChem (CID 162983849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).