7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one

C15H12O5 — CID 5319827

IUPAC7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one
SMILESCOc1ccc2ccc(=O)oc2c1C1=C(C)COC1=O
InChIInChI=1S/C15H12O5/c1-8-7-19-15(17)12(8)13-10(18-2)5-3-9-4-6-11(16)20-14(9)13/h3-6H,7H2,1-2H3
InChIKeyAZYVCLJYWIHOAD-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.13
Rot. Bonds2

About 7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one

7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one (PubChem CID 5319827) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one.

Molecular Properties

Compound Name7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one
PubChem CID5319827
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one
SMILESCOc1ccc2ccc(=O)oc2c1C1=C(C)COC1=O
InChIInChI=1S/C15H12O5/c1-8-7-19-15(17)12(8)13-10(18-2)5-3-9-4-6-11(16)20-14(9)13/h3-6H,7H2,1-2H3
InChIKeyAZYVCLJYWIHOAD-UHFFFAOYSA-N
XLogP2.13
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one?
The IUPAC name of 7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one (CID 5319827) is 7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one.
What is the SMILES notation for 7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one?
The canonical SMILES for 7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one is COc1ccc2ccc(=O)oc2c1C1=C(C)COC1=O.
What is the InChIKey of 7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one?
The InChIKey is AZYVCLJYWIHOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c1-8-7-19-15(17)12(8)13-10(18-2)5-3-9-4-6-11(16)20-14(9)13/h3-6H,7H2,1-2H3.
What are the key properties of 7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one?
7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one has a molecular weight of 272.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-8-(3-methyl-5-oxo-2H-furan-4-yl)chromen-2-one is sourced from PubChem (CID 5319827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).