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

C22H18O6 — CID 7295594

IUPAC4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-6-(2-oxopropoxy)chromen-2-one
SMILESCOc1cccc2cc(-c3cc(=O)oc4cc(C)c(OCC(C)=O)cc34)oc12
InChIInChI=1S/C22H18O6/c1-12-7-19-15(9-18(12)26-11-13(2)23)16(10-21(24)27-19)20-8-14-5-4-6-17(25-3)22(14)28-20/h4-10H,11H2,1-3H3
InChIKeyCPLVOJWYAFYLRX-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.49
Rot. Bonds5

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

4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-6-(2-oxopropoxy)chromen-2-one (PubChem CID 7295594) has the molecular formula C22H18O6 and a molecular weight of 378.38 g/mol. Its IUPAC name is 4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-6-(2-oxopropoxy)chromen-2-one.

Molecular Properties

Compound Name4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-6-(2-oxopropoxy)chromen-2-one
PubChem CID7295594
Molecular FormulaC22H18O6
Molecular Weight378.38 g/mol
Exact Mass378.11
IUPAC Name4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-6-(2-oxopropoxy)chromen-2-one
SMILESCOc1cccc2cc(-c3cc(=O)oc4cc(C)c(OCC(C)=O)cc34)oc12
InChIInChI=1S/C22H18O6/c1-12-7-19-15(9-18(12)26-11-13(2)23)16(10-21(24)27-19)20-8-14-5-4-6-17(25-3)22(14)28-20/h4-10H,11H2,1-3H3
InChIKeyCPLVOJWYAFYLRX-UHFFFAOYSA-N
XLogP4.49
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-6-(2-oxopropoxy)chromen-2-one?
The IUPAC name of 4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-6-(2-oxopropoxy)chromen-2-one (CID 7295594) is 4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-6-(2-oxopropoxy)chromen-2-one.
What is the SMILES notation for 4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-6-(2-oxopropoxy)chromen-2-one?
The canonical SMILES for 4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-6-(2-oxopropoxy)chromen-2-one is COc1cccc2cc(-c3cc(=O)oc4cc(C)c(OCC(C)=O)cc34)oc12.
What is the InChIKey of 4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-6-(2-oxopropoxy)chromen-2-one?
The InChIKey is CPLVOJWYAFYLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O6/c1-12-7-19-15(9-18(12)26-11-13(2)23)16(10-21(24)27-19)20-8-14-5-4-6-17(25-3)22(14)28-20/h4-10H,11H2,1-3H3.
What are the key properties of 4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-6-(2-oxopropoxy)chromen-2-one?
4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-6-(2-oxopropoxy)chromen-2-one has a molecular weight of 378.38 g/mol, XLogP of 4.49, 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)-7-methyl-6-(2-oxopropoxy)chromen-2-one is sourced from PubChem (CID 7295594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).