6-cyclopentyloxy-3-[6-cyclopentyloxy-8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromene-4,8-diol

C51H58O10 — CID 162936340

About 6-cyclopentyloxy-3-[6-cyclopentyloxy-8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromene-4,8-diol

6-cyclopentyloxy-3-[6-cyclopentyloxy-8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromene-4,8-diol (PubChem CID 162936340) has the molecular formula C51H58O10 and a molecular weight of 831.01 g/mol. Its IUPAC name is 6-cyclopentyloxy-3-[6-cyclopentyloxy-8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromene-4,8-diol.

Molecular Properties

• Compound Name: 6-cyclopentyloxy-3-[6-cyclopentyloxy-8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromene-4,8-diol
• PubChem CID: 162936340
• Molecular Formula: C51H58O10
• Molecular Weight: 831.01 g/mol
• Exact Mass: 830.40
• IUPAC Name: 6-cyclopentyloxy-3-[6-cyclopentyloxy-8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromene-4,8-diol
• SMILES: CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC3CCCC3)cc3c2OCC(C2C(CCCOC)Oc4c(cc(OC5CCCC5)c5cc(O)ccc45)C2O)C3O)cc1O
• InChI: InChI=1S/C51H58O10/c1-3-29-23-39(30-10-8-11-33(52)21-30)31(24-44(29)54)20-32-22-37(59-35-12-4-5-13-35)26-41-48(55)43(28-58-50(32)41)47-45(16-9-19-57-2)61-51-38-18-17-34(53)25-40(38)46(27-42(51)49(47)56)60-36-14-6-7-15-36/h8,10-11,17-18,21-27,35-36,43,45,47-49,52-56H,3-7,9,12-16,19-20,28H2,1-2H3
• InChIKey: RRMLOOPNPQVOMZ-UHFFFAOYSA-N
• XLogP: 10.00
• TPSA: 147.30 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	831.01
LogP ≤ 5	10.00
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-cyclopentyloxy-3-[6-cyclopentyloxy-8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromene-4,8-diol?

The IUPAC name of 6-cyclopentyloxy-3-[6-cyclopentyloxy-8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromene-4,8-diol (CID 162936340) is 6-cyclopentyloxy-3-[6-cyclopentyloxy-8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromene-4,8-diol.

What is the SMILES notation for 6-cyclopentyloxy-3-[6-cyclopentyloxy-8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromene-4,8-diol?

The canonical SMILES for 6-cyclopentyloxy-3-[6-cyclopentyloxy-8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromene-4,8-diol is CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC3CCCC3)cc3c2OCC(C2C(CCCOC)Oc4c(cc(OC5CCCC5)c5cc(O)ccc45)C2O)C3O)cc1O.

What is the InChIKey of 6-cyclopentyloxy-3-[6-cyclopentyloxy-8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromene-4,8-diol?

The InChIKey is RRMLOOPNPQVOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H58O10/c1-3-29-23-39(30-10-8-11-33(52)21-30)31(24-44(29)54)20-32-22-37(59-35-12-4-5-13-35)26-41-48(55)43(28-58-50(32)41)47-45(16-9-19-57-2)61-51-38-18-17-34(53)25-40(38)46(27-42(51)49(47)56)60-36-14-6-7-15-36/h8,10-11,17-18,21-27,35-36,43,45,47-49,52-56H,3-7,9,12-16,19-20,28H2,1-2H3.

What are the key properties of 6-cyclopentyloxy-3-[6-cyclopentyloxy-8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromene-4,8-diol?

6-cyclopentyloxy-3-[6-cyclopentyloxy-8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromene-4,8-diol has a molecular weight of 831.01 g/mol, XLogP of 10.00, 13 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopentyloxy-3-[6-cyclopentyloxy-8-[[4-ethyl-5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromene-4,8-diol is sourced from PubChem (CID 162936340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).