ethyl 4-cyclohexyloxy-6-formyl-2-[1-hydroxy-1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-9-(hydroxymethyl)-5-[3-(1H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate

C47H58N2O10 — CID 162836502

About ethyl 4-cyclohexyloxy-6-formyl-2-[1-hydroxy-1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-9-(hydroxymethyl)-5-[3-(1H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate

ethyl 4-cyclohexyloxy-6-formyl-2-[1-hydroxy-1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-9-(hydroxymethyl)-5-[3-(1H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate (PubChem CID 162836502) has the molecular formula C47H58N2O10 and a molecular weight of 810.98 g/mol. Its IUPAC name is ethyl 4-cyclohexyloxy-6-formyl-2-[1-hydroxy-1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-9-(hydroxymethyl)-5-[3-(1H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-cyclohexyloxy-6-formyl-2-[1-hydroxy-1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-9-(hydroxymethyl)-5-[3-(1H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
• PubChem CID: 162836502
• Molecular Formula: C47H58N2O10
• Molecular Weight: 810.98 g/mol
• Exact Mass: 810.41
• IUPAC Name: ethyl 4-cyclohexyloxy-6-formyl-2-[1-hydroxy-1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-9-(hydroxymethyl)-5-[3-(1H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
• SMILES: CCOC(=O)C1=C(C=O)C(=C2CCC(=O)C(c3ccc4[nH]ccc4c3)C2)c2c(c(CO)c3c(c2OC2CCCCC2)CC(C(C)(O)C2CCN(CCCOC)CC2)O3)O1
• InChI: InChI=1S/C47H58N2O10/c1-4-56-46(53)45-35(26-50)40(30-12-14-38(52)33(24-30)28-11-13-37-29(23-28)15-18-48-37)41-43(57-32-9-6-5-7-10-32)34-25-39(58-42(34)36(27-51)44(41)59-45)47(2,54)31-16-20-49(21-17-31)19-8-22-55-3/h11,13,15,18,23,26,31-33,39,48,51,54H,4-10,12,14,16-17,19-22,24-25,27H2,1-3H3
• InChIKey: VQPOSIJMTDFNAE-UHFFFAOYSA-N
• XLogP: 6.87
• TPSA: 156.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	810.98
LogP ≤ 5	6.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclohexyloxy-6-formyl-2-[1-hydroxy-1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-9-(hydroxymethyl)-5-[3-(1H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?

The IUPAC name of ethyl 4-cyclohexyloxy-6-formyl-2-[1-hydroxy-1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-9-(hydroxymethyl)-5-[3-(1H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate (CID 162836502) is ethyl 4-cyclohexyloxy-6-formyl-2-[1-hydroxy-1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-9-(hydroxymethyl)-5-[3-(1H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate.

What is the SMILES notation for ethyl 4-cyclohexyloxy-6-formyl-2-[1-hydroxy-1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-9-(hydroxymethyl)-5-[3-(1H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?

The canonical SMILES for ethyl 4-cyclohexyloxy-6-formyl-2-[1-hydroxy-1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-9-(hydroxymethyl)-5-[3-(1H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate is CCOC(=O)C1=C(C=O)C(=C2CCC(=O)C(c3ccc4[nH]ccc4c3)C2)c2c(c(CO)c3c(c2OC2CCCCC2)CC(C(C)(O)C2CCN(CCCOC)CC2)O3)O1.

What is the InChIKey of ethyl 4-cyclohexyloxy-6-formyl-2-[1-hydroxy-1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-9-(hydroxymethyl)-5-[3-(1H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?

The InChIKey is VQPOSIJMTDFNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H58N2O10/c1-4-56-46(53)45-35(26-50)40(30-12-14-38(52)33(24-30)28-11-13-37-29(23-28)15-18-48-37)41-43(57-32-9-6-5-7-10-32)34-25-39(58-42(34)36(27-51)44(41)59-45)47(2,54)31-16-20-49(21-17-31)19-8-22-55-3/h11,13,15,18,23,26,31-33,39,48,51,54H,4-10,12,14,16-17,19-22,24-25,27H2,1-3H3.

What are the key properties of ethyl 4-cyclohexyloxy-6-formyl-2-[1-hydroxy-1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-9-(hydroxymethyl)-5-[3-(1H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?

ethyl 4-cyclohexyloxy-6-formyl-2-[1-hydroxy-1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-9-(hydroxymethyl)-5-[3-(1H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate has a molecular weight of 810.98 g/mol, XLogP of 6.87, 13 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-cyclohexyloxy-6-formyl-2-[1-hydroxy-1-[1-(3-methoxypropyl)piperidin-4-yl]ethyl]-9-(hydroxymethyl)-5-[3-(1H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate is sourced from PubChem (CID 162836502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).