9-methoxy-2-methylbenzo[g][1]benzofuran-4,5-dione

C14H10O4 — CID 164617601

IUPAC9-methoxy-2-methylbenzo[g][1]benzofuran-4,5-dione
SMILESCOc1cccc2c1-c1oc(C)cc1C(=O)C2=O
InChIInChI=1S/C14H10O4/c1-7-6-9-13(16)12(15)8-4-3-5-10(17-2)11(8)14(9)18-7/h3-6H,1-2H3
InChIKeyBKAXDKMHGJHAJV-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.64
Rot. Bonds1

About 9-methoxy-2-methylbenzo[g][1]benzofuran-4,5-dione

9-methoxy-2-methylbenzo[g][1]benzofuran-4,5-dione (PubChem CID 164617601) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 9-methoxy-2-methylbenzo[g][1]benzofuran-4,5-dione.

Molecular Properties

Compound Name9-methoxy-2-methylbenzo[g][1]benzofuran-4,5-dione
PubChem CID164617601
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Name9-methoxy-2-methylbenzo[g][1]benzofuran-4,5-dione
SMILESCOc1cccc2c1-c1oc(C)cc1C(=O)C2=O
InChIInChI=1S/C14H10O4/c1-7-6-9-13(16)12(15)8-4-3-5-10(17-2)11(8)14(9)18-7/h3-6H,1-2H3
InChIKeyBKAXDKMHGJHAJV-UHFFFAOYSA-N
XLogP2.64
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-2-methylbenzo[g][1]benzofuran-4,5-dione?
The IUPAC name of 9-methoxy-2-methylbenzo[g][1]benzofuran-4,5-dione (CID 164617601) is 9-methoxy-2-methylbenzo[g][1]benzofuran-4,5-dione.
What is the SMILES notation for 9-methoxy-2-methylbenzo[g][1]benzofuran-4,5-dione?
The canonical SMILES for 9-methoxy-2-methylbenzo[g][1]benzofuran-4,5-dione is COc1cccc2c1-c1oc(C)cc1C(=O)C2=O.
What is the InChIKey of 9-methoxy-2-methylbenzo[g][1]benzofuran-4,5-dione?
The InChIKey is BKAXDKMHGJHAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c1-7-6-9-13(16)12(15)8-4-3-5-10(17-2)11(8)14(9)18-7/h3-6H,1-2H3.
What are the key properties of 9-methoxy-2-methylbenzo[g][1]benzofuran-4,5-dione?
9-methoxy-2-methylbenzo[g][1]benzofuran-4,5-dione has a molecular weight of 242.23 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-2-methylbenzo[g][1]benzofuran-4,5-dione is sourced from PubChem (CID 164617601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).