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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Related Compounds

1,4-dihydroxy-5,8-dimethoxyanthracene-9,10-dione
CID 21437455
1,4,5,8-tetramethoxynaphthalene
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1,8-dihydroxy-4-methoxy-10H-acridin-9-one
CID 46856149
9-hydroxy-5,8-dimethoxyphenanthrene-1,4-dione
CID 23251757
3,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperazine-2,5-dione
CID 3391519
2,3-diamino-4-methoxyphenol
CID 70465216
5,8-dimethoxy-2,3-dimethylphthalazine-1,4-dione
CID 10060652
5,8-dihydroxy-4-methoxy-9,10-dioxoanthracene-1-carbaldehyde
CID 139659317
4-hydroxy-5-methoxy-1H-quinolin-2-one
CID 54718133
(4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,12,13,16-octamethoxytetraphenylene
CID 53328080
4-hydroxy-1-methoxyxanthen-9-one
CID 162982875
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420

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).