6-(hydroxymethyl)-1-methylnaphtho[1,2-g][1]benzofuran-10,11-dione

C18H12O4 — CID 5321622

IUPAC6-(hydroxymethyl)-1-methylnaphtho[1,2-g][1]benzofuran-10,11-dione
SMILESCc1coc2c1C(=O)C(=O)c1c-2ccc2c(CO)cccc12
InChIInChI=1S/C18H12O4/c1-9-8-22-18-13-6-5-11-10(7-19)3-2-4-12(11)15(13)17(21)16(20)14(9)18/h2-6,8,19H,7H2,1H3
InChIKeyRVBZKTGBLGUYDC-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.28
Rot. Bonds1

About 6-(hydroxymethyl)-1-methylnaphtho[1,2-g][1]benzofuran-10,11-dione

6-(hydroxymethyl)-1-methylnaphtho[1,2-g][1]benzofuran-10,11-dione (PubChem CID 5321622) has the molecular formula C18H12O4 and a molecular weight of 292.29 g/mol. Its IUPAC name is 6-(hydroxymethyl)-1-methylnaphtho[1,2-g][1]benzofuran-10,11-dione.

Molecular Properties

Compound Name6-(hydroxymethyl)-1-methylnaphtho[1,2-g][1]benzofuran-10,11-dione
PubChem CID5321622
Molecular FormulaC18H12O4
Molecular Weight292.29 g/mol
Exact Mass292.07
IUPAC Name6-(hydroxymethyl)-1-methylnaphtho[1,2-g][1]benzofuran-10,11-dione
SMILESCc1coc2c1C(=O)C(=O)c1c-2ccc2c(CO)cccc12
InChIInChI=1S/C18H12O4/c1-9-8-22-18-13-6-5-11-10(7-19)3-2-4-12(11)15(13)17(21)16(20)14(9)18/h2-6,8,19H,7H2,1H3
InChIKeyRVBZKTGBLGUYDC-UHFFFAOYSA-N
XLogP3.28
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
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 6-(hydroxymethyl)-1-methylnaphtho[1,2-g][1]benzofuran-10,11-dione?
The IUPAC name of 6-(hydroxymethyl)-1-methylnaphtho[1,2-g][1]benzofuran-10,11-dione (CID 5321622) is 6-(hydroxymethyl)-1-methylnaphtho[1,2-g][1]benzofuran-10,11-dione.
What is the SMILES notation for 6-(hydroxymethyl)-1-methylnaphtho[1,2-g][1]benzofuran-10,11-dione?
The canonical SMILES for 6-(hydroxymethyl)-1-methylnaphtho[1,2-g][1]benzofuran-10,11-dione is Cc1coc2c1C(=O)C(=O)c1c-2ccc2c(CO)cccc12.
What is the InChIKey of 6-(hydroxymethyl)-1-methylnaphtho[1,2-g][1]benzofuran-10,11-dione?
The InChIKey is RVBZKTGBLGUYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O4/c1-9-8-22-18-13-6-5-11-10(7-19)3-2-4-12(11)15(13)17(21)16(20)14(9)18/h2-6,8,19H,7H2,1H3.
What are the key properties of 6-(hydroxymethyl)-1-methylnaphtho[1,2-g][1]benzofuran-10,11-dione?
6-(hydroxymethyl)-1-methylnaphtho[1,2-g][1]benzofuran-10,11-dione has a molecular weight of 292.29 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-1-methylnaphtho[1,2-g][1]benzofuran-10,11-dione is sourced from PubChem (CID 5321622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).