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

C26H32O8 — CID 162978120

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

ethyl 2-(2-hydroxypropan-2-yl)-4-(3-hydroxypropoxy)-5-(4-oxocyclohexylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate (PubChem CID 162978120) has the molecular formula C26H32O8 and a molecular weight of 472.53 g/mol. Its IUPAC name is ethyl 2-(2-hydroxypropan-2-yl)-4-(3-hydroxypropoxy)-5-(4-oxocyclohexylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-(2-hydroxypropan-2-yl)-4-(3-hydroxypropoxy)-5-(4-oxocyclohexylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
• PubChem CID: 162978120
• Molecular Formula: C26H32O8
• Molecular Weight: 472.53 g/mol
• Exact Mass: 472.21
• IUPAC Name: ethyl 2-(2-hydroxypropan-2-yl)-4-(3-hydroxypropoxy)-5-(4-oxocyclohexylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
• SMILES: CCOC(=O)C1=CC(=C2CCC(=O)CC2)c2c(cc3c(c2OCCCO)CC(C(C)(C)O)O3)O1
• InChI: InChI=1S/C26H32O8/c1-4-31-25(29)21-12-17(15-6-8-16(28)9-7-15)23-20(33-21)14-19-18(24(23)32-11-5-10-27)13-22(34-19)26(2,3)30/h12,14,22,27,30H,4-11,13H2,1-3H3
• InChIKey: QOFZNABXLRRISS-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 111.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.53
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of ethyl 2-(2-hydroxypropan-2-yl)-4-(3-hydroxypropoxy)-5-(4-oxocyclohexylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate (CID 162978120) is ethyl 2-(2-hydroxypropan-2-yl)-4-(3-hydroxypropoxy)-5-(4-oxocyclohexylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate.

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

The canonical SMILES for ethyl 2-(2-hydroxypropan-2-yl)-4-(3-hydroxypropoxy)-5-(4-oxocyclohexylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate is CCOC(=O)C1=CC(=C2CCC(=O)CC2)c2c(cc3c(c2OCCCO)CC(C(C)(C)O)O3)O1.

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

The InChIKey is QOFZNABXLRRISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O8/c1-4-31-25(29)21-12-17(15-6-8-16(28)9-7-15)23-20(33-21)14-19-18(24(23)32-11-5-10-27)13-22(34-19)26(2,3)30/h12,14,22,27,30H,4-11,13H2,1-3H3.

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

ethyl 2-(2-hydroxypropan-2-yl)-4-(3-hydroxypropoxy)-5-(4-oxocyclohexylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate has a molecular weight of 472.53 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-(2-hydroxypropan-2-yl)-4-(3-hydroxypropoxy)-5-(4-oxocyclohexylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate is sourced from PubChem (CID 162978120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).