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

C23H26N2O6 — CID 163032227

IUPACethyl 2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
SMILESCCOC(=O)C1=CC(=CCn2ccnc2)c2c(cc3c(c2OC)CC(C(C)(C)O)O3)O1
InChIInChI=1S/C23H26N2O6/c1-5-29-22(26)18-10-14(6-8-25-9-7-24-13-25)20-17(30-18)12-16-15(21(20)28-4)11-19(31-16)23(2,3)27/h6-7,9-10,12-13,19,27H,5,8,11H2,1-4H3
InChIKeyRORQQMOCYQXOLU-UHFFFAOYSA-N
MW426.47 g/mol
LogP2.89
Rot. Bonds6

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

ethyl 2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate (PubChem CID 163032227) has the molecular formula C23H26N2O6 and a molecular weight of 426.47 g/mol. Its IUPAC name is ethyl 2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
PubChem CID163032227
Molecular FormulaC23H26N2O6
Molecular Weight426.47 g/mol
Exact Mass426.18
IUPAC Nameethyl 2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
SMILESCCOC(=O)C1=CC(=CCn2ccnc2)c2c(cc3c(c2OC)CC(C(C)(C)O)O3)O1
InChIInChI=1S/C23H26N2O6/c1-5-29-22(26)18-10-14(6-8-25-9-7-24-13-25)20-17(30-18)12-16-15(21(20)28-4)11-19(31-16)23(2,3)27/h6-7,9-10,12-13,19,27H,5,8,11H2,1-4H3
InChIKeyRORQQMOCYQXOLU-UHFFFAOYSA-N
XLogP2.89
TPSA92.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 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 2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate (CID 163032227) is ethyl 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 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 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(cc3c(c2OC)CC(C(C)(C)O)O3)O1.
What is the InChIKey of ethyl 2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?
The InChIKey is RORQQMOCYQXOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6/c1-5-29-22(26)18-10-14(6-8-25-9-7-24-13-25)20-17(30-18)12-16-15(21(20)28-4)11-19(31-16)23(2,3)27/h6-7,9-10,12-13,19,27H,5,8,11H2,1-4H3.
What are the key properties of ethyl 2-(2-hydroxypropan-2-yl)-5-(2-imidazol-1-ylethylidene)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?
ethyl 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 426.47 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 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 163032227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).