4-hydroxy-3,5-dimethyl-6-[6-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]pyran-2-one

C21H23NO6 — CID 54738935

IUPAC4-hydroxy-3,5-dimethyl-6-[6-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]pyran-2-one
SMILESCc1c(-c2cc3ccc(OCCN4CCOCC4)cc3o2)oc(=O)c(C)c1O
InChIInChI=1S/C21H23NO6/c1-13-19(23)14(2)21(24)28-20(13)18-11-15-3-4-16(12-17(15)27-18)26-10-7-22-5-8-25-9-6-22/h3-4,11-12,23H,5-10H2,1-2H3
InChIKeyWETPDTMLGVOIJK-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.09
Rot. Bonds5

About 4-hydroxy-3,5-dimethyl-6-[6-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]pyran-2-one

4-hydroxy-3,5-dimethyl-6-[6-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]pyran-2-one (PubChem CID 54738935) has the molecular formula C21H23NO6 and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-hydroxy-3,5-dimethyl-6-[6-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-3,5-dimethyl-6-[6-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]pyran-2-one
PubChem CID54738935
Molecular FormulaC21H23NO6
Molecular Weight385.42 g/mol
Exact Mass385.15
IUPAC Name4-hydroxy-3,5-dimethyl-6-[6-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]pyran-2-one
SMILESCc1c(-c2cc3ccc(OCCN4CCOCC4)cc3o2)oc(=O)c(C)c1O
InChIInChI=1S/C21H23NO6/c1-13-19(23)14(2)21(24)28-20(13)18-11-15-3-4-16(12-17(15)27-18)26-10-7-22-5-8-25-9-6-22/h3-4,11-12,23H,5-10H2,1-2H3
InChIKeyWETPDTMLGVOIJK-UHFFFAOYSA-N
XLogP3.09
TPSA85.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-hydroxy-3,5-dimethyl-6-[6-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]pyran-2-one with MolForge

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Related Compounds

6-[6-(2-cyclohexylethoxy)-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one
CID 54733152
4-[2-[(2-methyl-1-benzofuran-6-yl)oxy]ethyl]morpholine
CID 143026753
6-[6-(3-cyclohexylpropoxy)-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one
CID 54729589
4-hydroxy-6-[6-[(3-methoxyphenyl)methoxy]-1-benzofuran-2-yl]-3,5-dimethylpyran-2-one
CID 54728020
6-[5-(2-cyclohexylethoxy)-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one
CID 54736746
2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid
CID 82165954
2-(4-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)chromen-4-one
CID 162359881
2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethyl 7-methoxy-2-oxochromene-3-carboxylate
CID 12073682
1-[5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]ethanone
CID 90083469
ethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate
CID 18668888
7-(2-morpholin-4-ylethoxy)-2-phenylchromen-4-one
CID 162359717
6-[5-[(3-aminophenyl)methoxy]-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one
CID 54728228

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5-dimethyl-6-[6-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]pyran-2-one?
The IUPAC name of 4-hydroxy-3,5-dimethyl-6-[6-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]pyran-2-one (CID 54738935) is 4-hydroxy-3,5-dimethyl-6-[6-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]pyran-2-one.
What is the SMILES notation for 4-hydroxy-3,5-dimethyl-6-[6-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]pyran-2-one?
The canonical SMILES for 4-hydroxy-3,5-dimethyl-6-[6-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]pyran-2-one is Cc1c(-c2cc3ccc(OCCN4CCOCC4)cc3o2)oc(=O)c(C)c1O.
What is the InChIKey of 4-hydroxy-3,5-dimethyl-6-[6-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]pyran-2-one?
The InChIKey is WETPDTMLGVOIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO6/c1-13-19(23)14(2)21(24)28-20(13)18-11-15-3-4-16(12-17(15)27-18)26-10-7-22-5-8-25-9-6-22/h3-4,11-12,23H,5-10H2,1-2H3.
What are the key properties of 4-hydroxy-3,5-dimethyl-6-[6-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]pyran-2-one?
4-hydroxy-3,5-dimethyl-6-[6-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]pyran-2-one has a molecular weight of 385.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-dimethyl-6-[6-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]pyran-2-one is sourced from PubChem (CID 54738935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).