5-methoxy-4-methylchromen-2-one

C11H10O3 — CID 11286956

IUPAC5-methoxy-4-methylchromen-2-one
SMILESCOc1cccc2oc(=O)cc(C)c12
InChIInChI=1S/C11H10O3/c1-7-6-10(12)14-9-5-3-4-8(13-2)11(7)9/h3-6H,1-2H3
InChIKeyNKJPXVBWROWYSW-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.11
Rot. Bonds1

About 5-methoxy-4-methylchromen-2-one

5-methoxy-4-methylchromen-2-one (PubChem CID 11286956) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 5-methoxy-4-methylchromen-2-one.

Molecular Properties

Compound Name5-methoxy-4-methylchromen-2-one
PubChem CID11286956
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name5-methoxy-4-methylchromen-2-one
SMILESCOc1cccc2oc(=O)cc(C)c12
InChIInChI=1S/C11H10O3/c1-7-6-10(12)14-9-5-3-4-8(13-2)11(7)9/h3-6H,1-2H3
InChIKeyNKJPXVBWROWYSW-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'}

Analyze 5-methoxy-4-methylchromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;4-methoxy-3-methyl-1-benzofuran
CID 142181981
2-amino-5-methoxychromen-4-one
CID 134860119
4-methyl-5-[(2R,3R,4S,5S)-3,4,5-trihydroxythian-2-yl]oxychromen-2-one
CID 15714372
3,4,5-trimethoxychromen-2-one
CID 19930053
6-iodo-5-methoxy-4-methylchromen-2-one
CID 121217791
5-methoxy-4-(2-methyl-1H-indol-5-yl)chromen-2-one
CID 88995863
5-methoxy-4-methyl-7-prop-2-enoxychromen-2-one
CID 12900454
7-methoxy-4-methyl-6-phenylchromen-2-one
CID 102307411
5-methoxy-2-(trifluoromethyl)chromen-4-one
CID 134855912
4-methoxy-3-methyl-1-benzofuran-2-carbaldehyde
CID 82374331
4,5-diethoxychromen-2-one
CID 90255780
2-(3-amino-4-methylphenyl)-5-methoxychromen-4-one
CID 71421837

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methylchromen-2-one?
The IUPAC name of 5-methoxy-4-methylchromen-2-one (CID 11286956) is 5-methoxy-4-methylchromen-2-one.
What is the SMILES notation for 5-methoxy-4-methylchromen-2-one?
The canonical SMILES for 5-methoxy-4-methylchromen-2-one is COc1cccc2oc(=O)cc(C)c12.
What is the InChIKey of 5-methoxy-4-methylchromen-2-one?
The InChIKey is NKJPXVBWROWYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-7-6-10(12)14-9-5-3-4-8(13-2)11(7)9/h3-6H,1-2H3.
What are the key properties of 5-methoxy-4-methylchromen-2-one?
5-methoxy-4-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 5-methoxy-4-methylchromen-2-one is sourced from PubChem (CID 11286956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).