4-hydroxy-7-methoxy-8-methylchromen-2-one

C11H10O4 — CID 54728807

IUPAC4-hydroxy-7-methoxy-8-methylchromen-2-one
SMILESCOc1ccc2c(O)cc(=O)oc2c1C
InChIInChI=1S/C11H10O4/c1-6-9(14-2)4-3-7-8(12)5-10(13)15-11(6)7/h3-5,12H,1-2H3
InChIKeyZPPACLOAXPSWDB-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.82
Rot. Bonds1

About 4-hydroxy-7-methoxy-8-methylchromen-2-one

4-hydroxy-7-methoxy-8-methylchromen-2-one (PubChem CID 54728807) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 4-hydroxy-7-methoxy-8-methylchromen-2-one.

Molecular Properties

Compound Name4-hydroxy-7-methoxy-8-methylchromen-2-one
PubChem CID54728807
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name4-hydroxy-7-methoxy-8-methylchromen-2-one
SMILESCOc1ccc2c(O)cc(=O)oc2c1C
InChIInChI=1S/C11H10O4/c1-6-9(14-2)4-3-7-8(12)5-10(13)15-11(6)7/h3-5,12H,1-2H3
InChIKeyZPPACLOAXPSWDB-UHFFFAOYSA-N
XLogP1.82
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-hydroxy-7-methoxy-8-methylchromen-2-one?
The IUPAC name of 4-hydroxy-7-methoxy-8-methylchromen-2-one (CID 54728807) is 4-hydroxy-7-methoxy-8-methylchromen-2-one.
What is the SMILES notation for 4-hydroxy-7-methoxy-8-methylchromen-2-one?
The canonical SMILES for 4-hydroxy-7-methoxy-8-methylchromen-2-one is COc1ccc2c(O)cc(=O)oc2c1C.
What is the InChIKey of 4-hydroxy-7-methoxy-8-methylchromen-2-one?
The InChIKey is ZPPACLOAXPSWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-6-9(14-2)4-3-7-8(12)5-10(13)15-11(6)7/h3-5,12H,1-2H3.
What are the key properties of 4-hydroxy-7-methoxy-8-methylchromen-2-one?
4-hydroxy-7-methoxy-8-methylchromen-2-one has a molecular weight of 206.20 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7-methoxy-8-methylchromen-2-one is sourced from PubChem (CID 54728807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).