9-(2,6-dichlorophenyl)-2-(3-hydroxyphenyl)-7H-purin-8-one

C17H10Cl2N4O2 — CID 68893595

IUPAC9-(2,6-dichlorophenyl)-2-(3-hydroxyphenyl)-7H-purin-8-one
SMILESO=c1[nH]c2cnc(-c3cccc(O)c3)nc2n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H10Cl2N4O2/c18-11-5-2-6-12(19)14(11)23-16-13(21-17(23)25)8-20-15(22-16)9-3-1-4-10(24)7-9/h1-8,24H,(H,21,25)
InChIKeyALJSVAHBCNSGSL-UHFFFAOYSA-N
MW373.20 g/mol
LogP3.79
Rot. Bonds2

About 9-(2,6-dichlorophenyl)-2-(3-hydroxyphenyl)-7H-purin-8-one

9-(2,6-dichlorophenyl)-2-(3-hydroxyphenyl)-7H-purin-8-one (PubChem CID 68893595) has the molecular formula C17H10Cl2N4O2 and a molecular weight of 373.20 g/mol. Its IUPAC name is 9-(2,6-dichlorophenyl)-2-(3-hydroxyphenyl)-7H-purin-8-one.

Molecular Properties

Compound Name9-(2,6-dichlorophenyl)-2-(3-hydroxyphenyl)-7H-purin-8-one
PubChem CID68893595
Molecular FormulaC17H10Cl2N4O2
Molecular Weight373.20 g/mol
Exact Mass372.02
IUPAC Name9-(2,6-dichlorophenyl)-2-(3-hydroxyphenyl)-7H-purin-8-one
SMILESO=c1[nH]c2cnc(-c3cccc(O)c3)nc2n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H10Cl2N4O2/c18-11-5-2-6-12(19)14(11)23-16-13(21-17(23)25)8-20-15(22-16)9-3-1-4-10(24)7-9/h1-8,24H,(H,21,25)
InChIKeyALJSVAHBCNSGSL-UHFFFAOYSA-N
XLogP3.79
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.20
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 9-(2,6-dichlorophenyl)-2-(3-hydroxyphenyl)-7H-purin-8-one 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 9-(2,6-dichlorophenyl)-2-(3-hydroxyphenyl)-7H-purin-8-one?
The IUPAC name of 9-(2,6-dichlorophenyl)-2-(3-hydroxyphenyl)-7H-purin-8-one (CID 68893595) is 9-(2,6-dichlorophenyl)-2-(3-hydroxyphenyl)-7H-purin-8-one.
What is the SMILES notation for 9-(2,6-dichlorophenyl)-2-(3-hydroxyphenyl)-7H-purin-8-one?
The canonical SMILES for 9-(2,6-dichlorophenyl)-2-(3-hydroxyphenyl)-7H-purin-8-one is O=c1[nH]c2cnc(-c3cccc(O)c3)nc2n1-c1c(Cl)cccc1Cl.
What is the InChIKey of 9-(2,6-dichlorophenyl)-2-(3-hydroxyphenyl)-7H-purin-8-one?
The InChIKey is ALJSVAHBCNSGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N4O2/c18-11-5-2-6-12(19)14(11)23-16-13(21-17(23)25)8-20-15(22-16)9-3-1-4-10(24)7-9/h1-8,24H,(H,21,25).
What are the key properties of 9-(2,6-dichlorophenyl)-2-(3-hydroxyphenyl)-7H-purin-8-one?
9-(2,6-dichlorophenyl)-2-(3-hydroxyphenyl)-7H-purin-8-one has a molecular weight of 373.20 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,6-dichlorophenyl)-2-(3-hydroxyphenyl)-7H-purin-8-one is sourced from PubChem (CID 68893595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).