7-(4-phenoxyphenyl)-9H-purin-8-one

C17H12N4O2 — CID 144841781

IUPAC7-(4-phenoxyphenyl)-9H-purin-8-one
SMILESO=c1[nH]c2ncncc2n1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H12N4O2/c22-17-20-16-15(10-18-11-19-16)21(17)12-6-8-14(9-7-12)23-13-4-2-1-3-5-13/h1-11H,(H,18,19,20,22)
InChIKeyUSPQCDLDJDUQSL-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.90
Rot. Bonds3

About 7-(4-phenoxyphenyl)-9H-purin-8-one

7-(4-phenoxyphenyl)-9H-purin-8-one (PubChem CID 144841781) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 7-(4-phenoxyphenyl)-9H-purin-8-one.

Molecular Properties

Compound Name7-(4-phenoxyphenyl)-9H-purin-8-one
PubChem CID144841781
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Name7-(4-phenoxyphenyl)-9H-purin-8-one
SMILESO=c1[nH]c2ncncc2n1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H12N4O2/c22-17-20-16-15(10-18-11-19-16)21(17)12-6-8-14(9-7-12)23-13-4-2-1-3-5-13/h1-11H,(H,18,19,20,22)
InChIKeyUSPQCDLDJDUQSL-UHFFFAOYSA-N
XLogP2.90
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-phenoxyphenyl)-9H-purin-8-one?
The IUPAC name of 7-(4-phenoxyphenyl)-9H-purin-8-one (CID 144841781) is 7-(4-phenoxyphenyl)-9H-purin-8-one.
What is the SMILES notation for 7-(4-phenoxyphenyl)-9H-purin-8-one?
The canonical SMILES for 7-(4-phenoxyphenyl)-9H-purin-8-one is O=c1[nH]c2ncncc2n1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 7-(4-phenoxyphenyl)-9H-purin-8-one?
The InChIKey is USPQCDLDJDUQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c22-17-20-16-15(10-18-11-19-16)21(17)12-6-8-14(9-7-12)23-13-4-2-1-3-5-13/h1-11H,(H,18,19,20,22).
What are the key properties of 7-(4-phenoxyphenyl)-9H-purin-8-one?
7-(4-phenoxyphenyl)-9H-purin-8-one has a molecular weight of 304.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenoxyphenyl)-9H-purin-8-one is sourced from PubChem (CID 144841781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).