5-hydroxy-8-methoxy-2,3-dihydrophthalazine-1,4-dione

C9H8N2O4 — CID 11820359

IUPAC5-hydroxy-8-methoxy-2,3-dihydrophthalazine-1,4-dione
SMILESCOc1ccc(O)c2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C9H8N2O4/c1-15-5-3-2-4(12)6-7(5)9(14)11-10-8(6)13/h2-3,12H,1H3,(H,10,13)(H,11,14)
InChIKeyFXSNYUWJQYWZBN-UHFFFAOYSA-N
MW208.17 g/mol
LogP-0.07
Rot. Bonds1

About 5-hydroxy-8-methoxy-2,3-dihydrophthalazine-1,4-dione

5-hydroxy-8-methoxy-2,3-dihydrophthalazine-1,4-dione (PubChem CID 11820359) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 5-hydroxy-8-methoxy-2,3-dihydrophthalazine-1,4-dione.

Molecular Properties

Compound Name5-hydroxy-8-methoxy-2,3-dihydrophthalazine-1,4-dione
PubChem CID11820359
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name5-hydroxy-8-methoxy-2,3-dihydrophthalazine-1,4-dione
SMILESCOc1ccc(O)c2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C9H8N2O4/c1-15-5-3-2-4(12)6-7(5)9(14)11-10-8(6)13/h2-3,12H,1H3,(H,10,13)(H,11,14)
InChIKeyFXSNYUWJQYWZBN-UHFFFAOYSA-N
XLogP-0.07
TPSA95.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-8-methoxy-2,3-dihydrophthalazine-1,4-dione?
The IUPAC name of 5-hydroxy-8-methoxy-2,3-dihydrophthalazine-1,4-dione (CID 11820359) is 5-hydroxy-8-methoxy-2,3-dihydrophthalazine-1,4-dione.
What is the SMILES notation for 5-hydroxy-8-methoxy-2,3-dihydrophthalazine-1,4-dione?
The canonical SMILES for 5-hydroxy-8-methoxy-2,3-dihydrophthalazine-1,4-dione is COc1ccc(O)c2c(=O)[nH][nH]c(=O)c12.
What is the InChIKey of 5-hydroxy-8-methoxy-2,3-dihydrophthalazine-1,4-dione?
The InChIKey is FXSNYUWJQYWZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4/c1-15-5-3-2-4(12)6-7(5)9(14)11-10-8(6)13/h2-3,12H,1H3,(H,10,13)(H,11,14).
What are the key properties of 5-hydroxy-8-methoxy-2,3-dihydrophthalazine-1,4-dione?
5-hydroxy-8-methoxy-2,3-dihydrophthalazine-1,4-dione has a molecular weight of 208.17 g/mol, XLogP of -0.07, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-8-methoxy-2,3-dihydrophthalazine-1,4-dione is sourced from PubChem (CID 11820359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).