4-(7-methoxy-1-benzofuran-2-yl)-6-(2-oxopropoxy)chromen-2-one

C21H16O6 — CID 7295592

IUPAC4-(7-methoxy-1-benzofuran-2-yl)-6-(2-oxopropoxy)chromen-2-one
SMILESCOc1cccc2cc(-c3cc(=O)oc4ccc(OCC(C)=O)cc34)oc12
InChIInChI=1S/C21H16O6/c1-12(22)11-25-14-6-7-17-15(9-14)16(10-20(23)26-17)19-8-13-4-3-5-18(24-2)21(13)27-19/h3-10H,11H2,1-2H3
InChIKeyHHBYOCHHRWGTSU-UHFFFAOYSA-N
MW364.35 g/mol
LogP4.18
Rot. Bonds5

About 4-(7-methoxy-1-benzofuran-2-yl)-6-(2-oxopropoxy)chromen-2-one

4-(7-methoxy-1-benzofuran-2-yl)-6-(2-oxopropoxy)chromen-2-one (PubChem CID 7295592) has the molecular formula C21H16O6 and a molecular weight of 364.35 g/mol. Its IUPAC name is 4-(7-methoxy-1-benzofuran-2-yl)-6-(2-oxopropoxy)chromen-2-one.

Molecular Properties

Compound Name4-(7-methoxy-1-benzofuran-2-yl)-6-(2-oxopropoxy)chromen-2-one
PubChem CID7295592
Molecular FormulaC21H16O6
Molecular Weight364.35 g/mol
Exact Mass364.09
IUPAC Name4-(7-methoxy-1-benzofuran-2-yl)-6-(2-oxopropoxy)chromen-2-one
SMILESCOc1cccc2cc(-c3cc(=O)oc4ccc(OCC(C)=O)cc34)oc12
InChIInChI=1S/C21H16O6/c1-12(22)11-25-14-6-7-17-15(9-14)16(10-20(23)26-17)19-8-13-4-3-5-18(24-2)21(13)27-19/h3-10H,11H2,1-2H3
InChIKeyHHBYOCHHRWGTSU-UHFFFAOYSA-N
XLogP4.18
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-(7-methoxy-1-benzofuran-2-yl)-2-oxochromen-6-yl] propanoate
CID 7295507
methyl 2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetate
CID 7295564
2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetamide
CID 7295581
4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-6-(3-methylbut-2-enoxy)chromen-2-one
CID 7295587
[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl] propanoate
CID 7295508
[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl] 2,6-dimethoxybenzoate
CID 44915621
[4-(7-methoxy-1-benzofuran-2-yl)-2-oxo-7-phenylchromen-6-yl] 2-methylpropanoate
CID 44915623
4-(7-ethoxy-1-benzofuran-2-yl)-6-ethylchromen-2-one
CID 908910
[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl] 4-methylbenzoate
CID 44915884
[4-(7-methoxy-1-benzofuran-2-yl)-2-oxo-7-phenylchromen-6-yl] 2-bromobenzoate
CID 44915965
3-(3,4-dimethoxyphenyl)-4-methyl-6-(2-oxopropoxy)chromen-2-one
CID 7198745
8-methoxy-3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]chromen-2-one
CID 29126866

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-1-benzofuran-2-yl)-6-(2-oxopropoxy)chromen-2-one?
The IUPAC name of 4-(7-methoxy-1-benzofuran-2-yl)-6-(2-oxopropoxy)chromen-2-one (CID 7295592) is 4-(7-methoxy-1-benzofuran-2-yl)-6-(2-oxopropoxy)chromen-2-one.
What is the SMILES notation for 4-(7-methoxy-1-benzofuran-2-yl)-6-(2-oxopropoxy)chromen-2-one?
The canonical SMILES for 4-(7-methoxy-1-benzofuran-2-yl)-6-(2-oxopropoxy)chromen-2-one is COc1cccc2cc(-c3cc(=O)oc4ccc(OCC(C)=O)cc34)oc12.
What is the InChIKey of 4-(7-methoxy-1-benzofuran-2-yl)-6-(2-oxopropoxy)chromen-2-one?
The InChIKey is HHBYOCHHRWGTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O6/c1-12(22)11-25-14-6-7-17-15(9-14)16(10-20(23)26-17)19-8-13-4-3-5-18(24-2)21(13)27-19/h3-10H,11H2,1-2H3.
What are the key properties of 4-(7-methoxy-1-benzofuran-2-yl)-6-(2-oxopropoxy)chromen-2-one?
4-(7-methoxy-1-benzofuran-2-yl)-6-(2-oxopropoxy)chromen-2-one has a molecular weight of 364.35 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-1-benzofuran-2-yl)-6-(2-oxopropoxy)chromen-2-one is sourced from PubChem (CID 7295592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).