9-hydroxy-2,3-dihydrobenzo[f]phthalazine-1,4-dione

C12H8N2O3 — CID 57428995

IUPAC9-hydroxy-2,3-dihydrobenzo[f]phthalazine-1,4-dione
SMILESO=c1[nH][nH]c(=O)c2c1ccc1ccc(O)cc12
InChIInChI=1S/C12H8N2O3/c15-7-3-1-6-2-4-8-10(9(6)5-7)12(17)14-13-11(8)16/h1-5,15H,(H,13,16)(H,14,17)
InChIKeyWZHGQPZFBXOWGI-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.08
Rot. Bonds

About 9-hydroxy-2,3-dihydrobenzo[f]phthalazine-1,4-dione

9-hydroxy-2,3-dihydrobenzo[f]phthalazine-1,4-dione (PubChem CID 57428995) has the molecular formula C12H8N2O3 and a molecular weight of 228.21 g/mol. Its IUPAC name is 9-hydroxy-2,3-dihydrobenzo[f]phthalazine-1,4-dione.

Molecular Properties

Compound Name9-hydroxy-2,3-dihydrobenzo[f]phthalazine-1,4-dione
PubChem CID57428995
Molecular FormulaC12H8N2O3
Molecular Weight228.21 g/mol
Exact Mass228.05
IUPAC Name9-hydroxy-2,3-dihydrobenzo[f]phthalazine-1,4-dione
SMILESO=c1[nH][nH]c(=O)c2c1ccc1ccc(O)cc12
InChIInChI=1S/C12H8N2O3/c15-7-3-1-6-2-4-8-10(9(6)5-7)12(17)14-13-11(8)16/h1-5,15H,(H,13,16)(H,14,17)
InChIKeyWZHGQPZFBXOWGI-UHFFFAOYSA-N
XLogP1.08
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2,3-dihydrobenzo[f]phthalazine-1,4-dione?
The IUPAC name of 9-hydroxy-2,3-dihydrobenzo[f]phthalazine-1,4-dione (CID 57428995) is 9-hydroxy-2,3-dihydrobenzo[f]phthalazine-1,4-dione.
What is the SMILES notation for 9-hydroxy-2,3-dihydrobenzo[f]phthalazine-1,4-dione?
The canonical SMILES for 9-hydroxy-2,3-dihydrobenzo[f]phthalazine-1,4-dione is O=c1[nH][nH]c(=O)c2c1ccc1ccc(O)cc12.
What is the InChIKey of 9-hydroxy-2,3-dihydrobenzo[f]phthalazine-1,4-dione?
The InChIKey is WZHGQPZFBXOWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3/c15-7-3-1-6-2-4-8-10(9(6)5-7)12(17)14-13-11(8)16/h1-5,15H,(H,13,16)(H,14,17).
What are the key properties of 9-hydroxy-2,3-dihydrobenzo[f]phthalazine-1,4-dione?
9-hydroxy-2,3-dihydrobenzo[f]phthalazine-1,4-dione has a molecular weight of 228.21 g/mol, XLogP of 1.08, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2,3-dihydrobenzo[f]phthalazine-1,4-dione is sourced from PubChem (CID 57428995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).