8-hydroxy-11-methoxy-3-methylnaphtho[2,3-c]isochromene-5,7,12-trione

C19H12O6 — CID 70548578

IUPAC8-hydroxy-11-methoxy-3-methylnaphtho[2,3-c]isochromene-5,7,12-trione
SMILESCOc1ccc(O)c2c1C(=O)c1c(oc(=O)c3cc(C)ccc13)C2=O
InChIInChI=1S/C19H12O6/c1-8-3-4-9-10(7-8)19(23)25-18-13(9)16(21)15-12(24-2)6-5-11(20)14(15)17(18)22/h3-7,20H,1-2H3
InChIKeyLOQVOGHRDWBYKD-UHFFFAOYSA-N
MW336.30 g/mol
LogP2.59
Rot. Bonds1

About 8-hydroxy-11-methoxy-3-methylnaphtho[2,3-c]isochromene-5,7,12-trione

8-hydroxy-11-methoxy-3-methylnaphtho[2,3-c]isochromene-5,7,12-trione (PubChem CID 70548578) has the molecular formula C19H12O6 and a molecular weight of 336.30 g/mol. Its IUPAC name is 8-hydroxy-11-methoxy-3-methylnaphtho[2,3-c]isochromene-5,7,12-trione.

Molecular Properties

Compound Name8-hydroxy-11-methoxy-3-methylnaphtho[2,3-c]isochromene-5,7,12-trione
PubChem CID70548578
Molecular FormulaC19H12O6
Molecular Weight336.30 g/mol
Exact Mass336.06
IUPAC Name8-hydroxy-11-methoxy-3-methylnaphtho[2,3-c]isochromene-5,7,12-trione
SMILESCOc1ccc(O)c2c1C(=O)c1c(oc(=O)c3cc(C)ccc13)C2=O
InChIInChI=1S/C19H12O6/c1-8-3-4-9-10(7-8)19(23)25-18-13(9)16(21)15-12(24-2)6-5-11(20)14(15)17(18)22/h3-7,20H,1-2H3
InChIKeyLOQVOGHRDWBYKD-UHFFFAOYSA-N
XLogP2.59
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 8-hydroxy-11-methoxy-3-methylnaphtho[2,3-c]isochromene-5,7,12-trione 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 8-hydroxy-11-methoxy-3-methylnaphtho[2,3-c]isochromene-5,7,12-trione?
The IUPAC name of 8-hydroxy-11-methoxy-3-methylnaphtho[2,3-c]isochromene-5,7,12-trione (CID 70548578) is 8-hydroxy-11-methoxy-3-methylnaphtho[2,3-c]isochromene-5,7,12-trione.
What is the SMILES notation for 8-hydroxy-11-methoxy-3-methylnaphtho[2,3-c]isochromene-5,7,12-trione?
The canonical SMILES for 8-hydroxy-11-methoxy-3-methylnaphtho[2,3-c]isochromene-5,7,12-trione is COc1ccc(O)c2c1C(=O)c1c(oc(=O)c3cc(C)ccc13)C2=O.
What is the InChIKey of 8-hydroxy-11-methoxy-3-methylnaphtho[2,3-c]isochromene-5,7,12-trione?
The InChIKey is LOQVOGHRDWBYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O6/c1-8-3-4-9-10(7-8)19(23)25-18-13(9)16(21)15-12(24-2)6-5-11(20)14(15)17(18)22/h3-7,20H,1-2H3.
What are the key properties of 8-hydroxy-11-methoxy-3-methylnaphtho[2,3-c]isochromene-5,7,12-trione?
8-hydroxy-11-methoxy-3-methylnaphtho[2,3-c]isochromene-5,7,12-trione has a molecular weight of 336.30 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-11-methoxy-3-methylnaphtho[2,3-c]isochromene-5,7,12-trione is sourced from PubChem (CID 70548578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).