2,3-dihydronaphthalene-1,4,5,8-tetrone

C10H6O4 — CID 521223

IUPAC2,3-dihydronaphthalene-1,4,5,8-tetrone
SMILESO=C1C=CC(=O)C2=C1C(=O)CCC2=O
InChIInChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-2H,3-4H2
InChIKeyWGJYITVFKWDWID-UHFFFAOYSA-N
MW190.15 g/mol
LogP-0.08
Rot. Bonds

About 2,3-dihydronaphthalene-1,4,5,8-tetrone

2,3-dihydronaphthalene-1,4,5,8-tetrone (PubChem CID 521223) has the molecular formula C10H6O4 and a molecular weight of 190.15 g/mol. Its IUPAC name is 2,3-dihydronaphthalene-1,4,5,8-tetrone.

Molecular Properties

Compound Name2,3-dihydronaphthalene-1,4,5,8-tetrone
PubChem CID521223
Molecular FormulaC10H6O4
Molecular Weight190.15 g/mol
Exact Mass190.03
IUPAC Name2,3-dihydronaphthalene-1,4,5,8-tetrone
SMILESO=C1C=CC(=O)C2=C1C(=O)CCC2=O
InChIInChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-2H,3-4H2
InChIKeyWGJYITVFKWDWID-UHFFFAOYSA-N
XLogP-0.08
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2,3-dihydronaphthalene-1,4,5,8-tetrone 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 2,3-dihydronaphthalene-1,4,5,8-tetrone?
The IUPAC name of 2,3-dihydronaphthalene-1,4,5,8-tetrone (CID 521223) is 2,3-dihydronaphthalene-1,4,5,8-tetrone.
What is the SMILES notation for 2,3-dihydronaphthalene-1,4,5,8-tetrone?
The canonical SMILES for 2,3-dihydronaphthalene-1,4,5,8-tetrone is O=C1C=CC(=O)C2=C1C(=O)CCC2=O.
What is the InChIKey of 2,3-dihydronaphthalene-1,4,5,8-tetrone?
The InChIKey is WGJYITVFKWDWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-2H,3-4H2.
What are the key properties of 2,3-dihydronaphthalene-1,4,5,8-tetrone?
2,3-dihydronaphthalene-1,4,5,8-tetrone has a molecular weight of 190.15 g/mol, XLogP of -0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydronaphthalene-1,4,5,8-tetrone is sourced from PubChem (CID 521223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).