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

C52H60O11 — CID 163096984

About 6-cyclopentyloxy-3-[6-cyclopentyloxy-4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3,4-dihydro-2H-chromen-3-yl]-4-(3-hydroxypropoxy)-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-(3-hydroxypropoxy)-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromen-8-ol (PubChem CID 163096984) has the molecular formula C52H60O11 and a molecular weight of 861.04 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-(3-hydroxypropoxy)-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-(3-hydroxypropoxy)-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromen-8-ol
• PubChem CID: 163096984
• Molecular Formula: C52H60O11
• Molecular Weight: 861.04 g/mol
• Exact Mass: 860.41
• 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-(3-hydroxypropoxy)-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromen-8-ol
• SMILES: COCCCC1Oc2c(cc(OC3CCCC3)c3cc(O)ccc23)C(OCCCO)C1C1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2C1O
• InChI: InChI=1S/C52H60O11/c1-58-21-7-15-46-48(52(59-22-8-20-53)44-29-47(62-38-13-4-5-14-38)42-27-36(56)17-19-41(42)51(44)63-46)45-30-60-50-33(26-39(28-43(50)49(45)57)61-37-11-2-3-12-37)23-32-25-35(55)16-18-40(32)31-9-6-10-34(54)24-31/h6,9-10,16-19,24-29,37-38,45-46,48-49,52-57H,2-5,7-8,11-15,20-23,30H2,1H3
• InChIKey: HKSQIYYWFVLSBM-UHFFFAOYSA-N
• XLogP: 9.84
• TPSA: 156.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	861.04
LogP ≤ 5	9.84
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

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-(3-hydroxypropoxy)-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-(3-hydroxypropoxy)-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromen-8-ol (CID 163096984) is 6-cyclopentyloxy-3-[6-cyclopentyloxy-4-hydroxy-8-[[5-hydroxy-2-(3-hydroxyphenyl)phenyl]methyl]-3,4-dihydro-2H-chromen-3-yl]-4-(3-hydroxypropoxy)-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-(3-hydroxypropoxy)-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-(3-hydroxypropoxy)-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromen-8-ol is COCCCC1Oc2c(cc(OC3CCCC3)c3cc(O)ccc23)C(OCCCO)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-(3-hydroxypropoxy)-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromen-8-ol?

The InChIKey is HKSQIYYWFVLSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H60O11/c1-58-21-7-15-46-48(52(59-22-8-20-53)44-29-47(62-38-13-4-5-14-38)42-27-36(56)17-19-41(42)51(44)63-46)45-30-60-50-33(26-39(28-43(50)49(45)57)61-37-11-2-3-12-37)23-32-25-35(55)16-18-40(32)31-9-6-10-34(54)24-31/h6,9-10,16-19,24-29,37-38,45-46,48-49,52-57H,2-5,7-8,11-15,20-23,30H2,1H3.

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-(3-hydroxypropoxy)-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-(3-hydroxypropoxy)-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromen-8-ol has a molecular weight of 861.04 g/mol, XLogP of 9.84, 16 rotatable bonds, 5 hydrogen bond donors, and 11 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-(3-hydroxypropoxy)-2-(3-methoxypropyl)-3,4-dihydro-2H-benzo[h]chromen-8-ol is sourced from PubChem (CID 163096984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).