2-methoxy-6-methyl-3-nitrochromen-4-one

C11H9NO5 — CID 121220404

IUPAC2-methoxy-6-methyl-3-nitrochromen-4-one
SMILESCOc1oc2ccc(C)cc2c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C11H9NO5/c1-6-3-4-8-7(5-6)10(13)9(12(14)15)11(16-2)17-8/h3-5H,1-2H3
InChIKeyRFULPOQHXQAAGM-UHFFFAOYSA-N
MW235.19 g/mol
LogP2.02
Rot. Bonds2

About 2-methoxy-6-methyl-3-nitrochromen-4-one

2-methoxy-6-methyl-3-nitrochromen-4-one (PubChem CID 121220404) has the molecular formula C11H9NO5 and a molecular weight of 235.19 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-nitrochromen-4-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-nitrochromen-4-one
PubChem CID121220404
Molecular FormulaC11H9NO5
Molecular Weight235.19 g/mol
Exact Mass235.05
IUPAC Name2-methoxy-6-methyl-3-nitrochromen-4-one
SMILESCOc1oc2ccc(C)cc2c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C11H9NO5/c1-6-3-4-8-7(5-6)10(13)9(12(14)15)11(16-2)17-8/h3-5H,1-2H3
InChIKeyRFULPOQHXQAAGM-UHFFFAOYSA-N
XLogP2.02
TPSA82.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methoxy-6-methyl-3-nitrochromen-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-3-nitrochromen-4-one?
The IUPAC name of 2-methoxy-6-methyl-3-nitrochromen-4-one (CID 121220404) is 2-methoxy-6-methyl-3-nitrochromen-4-one.
What is the SMILES notation for 2-methoxy-6-methyl-3-nitrochromen-4-one?
The canonical SMILES for 2-methoxy-6-methyl-3-nitrochromen-4-one is COc1oc2ccc(C)cc2c(=O)c1[N+](=O)[O-].
What is the InChIKey of 2-methoxy-6-methyl-3-nitrochromen-4-one?
The InChIKey is RFULPOQHXQAAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO5/c1-6-3-4-8-7(5-6)10(13)9(12(14)15)11(16-2)17-8/h3-5H,1-2H3.
What are the key properties of 2-methoxy-6-methyl-3-nitrochromen-4-one?
2-methoxy-6-methyl-3-nitrochromen-4-one has a molecular weight of 235.19 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-3-nitrochromen-4-one is sourced from PubChem (CID 121220404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).