ethyl (2S,5E)-4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate

C28H34N2O6 — CID 162853080

About ethyl (2S,5E)-4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate

ethyl (2S,5E)-4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate (PubChem CID 162853080) has the molecular formula C28H34N2O6 and a molecular weight of 494.59 g/mol. Its IUPAC name is ethyl (2S,5E)-4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate.

Molecular Properties

• Compound Name: ethyl (2S,5E)-4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
• PubChem CID: 162853080
• Molecular Formula: C28H34N2O6
• Molecular Weight: 494.59 g/mol
• Exact Mass: 494.24
• IUPAC Name: ethyl (2S,5E)-4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
• SMILES: CCOC(=O)C1=C/C(=C\Cn2ccnc2)c2c(cc3c(c2OC2CCCCC2)C[C@@H](C(C)(C)O)O3)O1
• InChI: InChI=1S/C28H34N2O6/c1-4-33-27(31)23-14-18(10-12-30-13-11-29-17-30)25-22(35-23)16-21-20(15-24(36-21)28(2,3)32)26(25)34-19-8-6-5-7-9-19/h10-11,13-14,16-17,19,24,32H,4-9,12,15H2,1-3H3/b18-10+/t24-/m0/s1
• InChIKey: WTZARICNXQVCAL-FBGPZHRUSA-N
• XLogP: 4.59
• TPSA: 92.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.59
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of ethyl (2S,5E)-4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate (CID 162853080) is ethyl (2S,5E)-4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate.

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

The canonical SMILES for ethyl (2S,5E)-4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate is CCOC(=O)C1=C/C(=C\Cn2ccnc2)c2c(cc3c(c2OC2CCCCC2)C[C@@H](C(C)(C)O)O3)O1.

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

The InChIKey is WTZARICNXQVCAL-FBGPZHRUSA-N. The full InChI is InChI=1S/C28H34N2O6/c1-4-33-27(31)23-14-18(10-12-30-13-11-29-17-30)25-22(35-23)16-21-20(15-24(36-21)28(2,3)32)26(25)34-19-8-6-5-7-9-19/h10-11,13-14,16-17,19,24,32H,4-9,12,15H2,1-3H3/b18-10+/t24-/m0/s1.

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

ethyl (2S,5E)-4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate has a molecular weight of 494.59 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2S,5E)-4-cyclohexyloxy-2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate is sourced from PubChem (CID 162853080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).