ethyl 9-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate

C24H28N2O7 — CID 162961223

About ethyl 9-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate

ethyl 9-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate (PubChem CID 162961223) has the molecular formula C24H28N2O7 and a molecular weight of 456.50 g/mol. Its IUPAC name is ethyl 9-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate.

Molecular Properties

• Compound Name: ethyl 9-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
• PubChem CID: 162961223
• Molecular Formula: C24H28N2O7
• Molecular Weight: 456.50 g/mol
• Exact Mass: 456.19
• IUPAC Name: ethyl 9-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
• SMILES: CCOC(=O)C1=CC(=CCn2ccnc2)c2c(OC)c3c(c(CO)c2O1)OC(C(C)(C)O)C3
• InChI: InChI=1S/C24H28N2O7/c1-5-31-23(28)17-10-14(6-8-26-9-7-25-13-26)19-21(30-4)15-11-18(24(2,3)29)33-20(15)16(12-27)22(19)32-17/h6-7,9-10,13,18,27,29H,5,8,11-12H2,1-4H3
• InChIKey: FMKPHAZJARPIHH-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 112.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.50
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of ethyl 9-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?

The IUPAC name of ethyl 9-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate (CID 162961223) is ethyl 9-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate.

What is the SMILES notation for ethyl 9-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?

The canonical SMILES for ethyl 9-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate is CCOC(=O)C1=CC(=CCn2ccnc2)c2c(OC)c3c(c(CO)c2O1)OC(C(C)(C)O)C3.

What is the InChIKey of ethyl 9-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?

The InChIKey is FMKPHAZJARPIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O7/c1-5-31-23(28)17-10-14(6-8-26-9-7-25-13-26)19-21(30-4)15-11-18(24(2,3)29)33-20(15)16(12-27)22(19)32-17/h6-7,9-10,13,18,27,29H,5,8,11-12H2,1-4H3.

What are the key properties of ethyl 9-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?

ethyl 9-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate has a molecular weight of 456.50 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 9-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate is sourced from PubChem (CID 162961223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).