4-methoxy-6-methylchromen-2-one

C11H10O3 — CID 72943024

IUPAC4-methoxy-6-methylchromen-2-one
SMILESCOc1cc(=O)oc2ccc(C)cc12
InChIInChI=1S/C11H10O3/c1-7-3-4-9-8(5-7)10(13-2)6-11(12)14-9/h3-6H,1-2H3
InChIKeyTVEJKMUXDYQRHA-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.11
Rot. Bonds1

About 4-methoxy-6-methylchromen-2-one

4-methoxy-6-methylchromen-2-one (PubChem CID 72943024) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-methoxy-6-methylchromen-2-one.

Molecular Properties

Compound Name4-methoxy-6-methylchromen-2-one
PubChem CID72943024
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name4-methoxy-6-methylchromen-2-one
SMILESCOc1cc(=O)oc2ccc(C)cc12
InChIInChI=1S/C11H10O3/c1-7-3-4-9-8(5-7)10(13-2)6-11(12)14-9/h3-6H,1-2H3
InChIKeyTVEJKMUXDYQRHA-UHFFFAOYSA-N
XLogP2.11
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxy-6-methylchromen-2-one?
The IUPAC name of 4-methoxy-6-methylchromen-2-one (CID 72943024) is 4-methoxy-6-methylchromen-2-one.
What is the SMILES notation for 4-methoxy-6-methylchromen-2-one?
The canonical SMILES for 4-methoxy-6-methylchromen-2-one is COc1cc(=O)oc2ccc(C)cc12.
What is the InChIKey of 4-methoxy-6-methylchromen-2-one?
The InChIKey is TVEJKMUXDYQRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-7-3-4-9-8(5-7)10(13-2)6-11(12)14-9/h3-6H,1-2H3.
What are the key properties of 4-methoxy-6-methylchromen-2-one?
4-methoxy-6-methylchromen-2-one has a molecular weight of 190.20 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methylchromen-2-one is sourced from PubChem (CID 72943024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).