ethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-[3-(2H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate

C37H41NO7 — CID 163149751

About ethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-[3-(2H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate

ethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-[3-(2H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate (PubChem CID 163149751) has the molecular formula C37H41NO7 and a molecular weight of 611.74 g/mol. Its IUPAC name is ethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-[3-(2H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-[3-(2H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
• PubChem CID: 163149751
• Molecular Formula: C37H41NO7
• Molecular Weight: 611.74 g/mol
• Exact Mass: 611.29
• IUPAC Name: ethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-[3-(2H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
• SMILES: CCOC(=O)C1=CC(=C2CCC(=O)C(c3ccc4c(c3)=CCN=4)C2)c2c(cc3c(c2OC2CCCCC2)CC(C(C)(C)O)O3)O1
• InChI: InChI=1S/C37H41NO7/c1-4-42-36(40)32-18-26(22-11-13-29(39)25(17-22)21-10-12-28-23(16-21)14-15-38-28)34-31(44-32)20-30-27(19-33(45-30)37(2,3)41)35(34)43-24-8-6-5-7-9-24/h10,12,14,16,18,20,24-25,33,41H,4-9,11,13,15,17,19H2,1-3H3
• InChIKey: MWYQFLYDROQIQN-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 103.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.74
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-[3-(2H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?

The IUPAC name of ethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-[3-(2H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate (CID 163149751) is ethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-[3-(2H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate.

What is the SMILES notation for ethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-[3-(2H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?

The canonical SMILES for ethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-[3-(2H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate is CCOC(=O)C1=CC(=C2CCC(=O)C(c3ccc4c(c3)=CCN=4)C2)c2c(cc3c(c2OC2CCCCC2)CC(C(C)(C)O)O3)O1.

What is the InChIKey of ethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-[3-(2H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?

The InChIKey is MWYQFLYDROQIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41NO7/c1-4-42-36(40)32-18-26(22-11-13-29(39)25(17-22)21-10-12-28-23(16-21)14-15-38-28)34-31(44-32)20-30-27(19-33(45-30)37(2,3)41)35(34)43-24-8-6-5-7-9-24/h10,12,14,16,18,20,24-25,33,41H,4-9,11,13,15,17,19H2,1-3H3.

What are the key properties of ethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-[3-(2H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?

ethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-[3-(2H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate has a molecular weight of 611.74 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-[3-(2H-indol-5-yl)-4-oxocyclohexylidene]-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate is sourced from PubChem (CID 163149751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).