6,8-dihydroxy-2-(4-hydroxyphenyl)phthalazin-1-one

C14H10N2O4 — CID 141488259

IUPAC6,8-dihydroxy-2-(4-hydroxyphenyl)phthalazin-1-one
SMILESO=c1c2c(O)cc(O)cc2cnn1-c1ccc(O)cc1
InChIInChI=1S/C14H10N2O4/c17-10-3-1-9(2-4-10)16-14(20)13-8(7-15-16)5-11(18)6-12(13)19/h1-7,17-19H
InChIKeyALXZWTQLOSUPAG-UHFFFAOYSA-N
MW270.24 g/mol
LogP1.50
Rot. Bonds1

About 6,8-dihydroxy-2-(4-hydroxyphenyl)phthalazin-1-one

6,8-dihydroxy-2-(4-hydroxyphenyl)phthalazin-1-one (PubChem CID 141488259) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 6,8-dihydroxy-2-(4-hydroxyphenyl)phthalazin-1-one.

Molecular Properties

Compound Name6,8-dihydroxy-2-(4-hydroxyphenyl)phthalazin-1-one
PubChem CID141488259
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name6,8-dihydroxy-2-(4-hydroxyphenyl)phthalazin-1-one
SMILESO=c1c2c(O)cc(O)cc2cnn1-c1ccc(O)cc1
InChIInChI=1S/C14H10N2O4/c17-10-3-1-9(2-4-10)16-14(20)13-8(7-15-16)5-11(18)6-12(13)19/h1-7,17-19H
InChIKeyALXZWTQLOSUPAG-UHFFFAOYSA-N
XLogP1.50
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6,8-dihydroxy-2-(4-hydroxyphenyl)phthalazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-methoxy-2-(4-methoxyphenyl)-6-methylphthalazin-1-one
CID 159088215
4-hydroxy-1-(4-hydroxyphenyl)pyrazole-5-carboxylic acid
CID 117233109
4-[5-(aminomethyl)pyrazolo[5,4-b]pyridin-1-yl]phenol
CID 115043642
2-(4-chlorophenyl)-5-hydroxypyridazin-3-one
CID 54710779
4-[4-ethyl-1-(4-hydroxyphenyl)pyrazol-5-yl]phenol
CID 136646088
2,6-bis(4-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 634046
4-(5-amino-4-chloropyrazol-1-yl)phenol
CID 112711594
4,5-dimethyl-2-(4-methylphenyl)pyridazin-3-one
CID 144652032
7-bromo-2-pyridin-4-ylphthalazin-1-one
CID 97179725
2-(4-phenylphenyl)phthalazin-1-one
CID 71501176
2-(4-tert-butylphenyl)-7-ethylphthalazin-1-one
CID 174940699
5-fluoro-1-(4-hydroxyphenyl)pyrazole-4-sulfonyl chloride
CID 115051113

Frequently Asked Questions

What is the IUPAC name of 6,8-dihydroxy-2-(4-hydroxyphenyl)phthalazin-1-one?
The IUPAC name of 6,8-dihydroxy-2-(4-hydroxyphenyl)phthalazin-1-one (CID 141488259) is 6,8-dihydroxy-2-(4-hydroxyphenyl)phthalazin-1-one.
What is the SMILES notation for 6,8-dihydroxy-2-(4-hydroxyphenyl)phthalazin-1-one?
The canonical SMILES for 6,8-dihydroxy-2-(4-hydroxyphenyl)phthalazin-1-one is O=c1c2c(O)cc(O)cc2cnn1-c1ccc(O)cc1.
What is the InChIKey of 6,8-dihydroxy-2-(4-hydroxyphenyl)phthalazin-1-one?
The InChIKey is ALXZWTQLOSUPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c17-10-3-1-9(2-4-10)16-14(20)13-8(7-15-16)5-11(18)6-12(13)19/h1-7,17-19H.
What are the key properties of 6,8-dihydroxy-2-(4-hydroxyphenyl)phthalazin-1-one?
6,8-dihydroxy-2-(4-hydroxyphenyl)phthalazin-1-one has a molecular weight of 270.24 g/mol, XLogP of 1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydroxy-2-(4-hydroxyphenyl)phthalazin-1-one is sourced from PubChem (CID 141488259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).