7-(4-hydroxyphenyl)-3H-pteridin-4-one

C12H8N4O2 — CID 135538154

IUPAC7-(4-hydroxyphenyl)-3H-pteridin-4-one
SMILESO=c1[nH]cnc2nc(-c3ccc(O)cc3)cnc12
InChIInChI=1S/C12H8N4O2/c17-8-3-1-7(2-4-8)9-5-13-10-11(16-9)14-6-15-12(10)18/h1-6,17H,(H,14,15,16,18)
InChIKeyVFCHWSVXSVXHCO-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.09
Rot. Bonds1

About 7-(4-hydroxyphenyl)-3H-pteridin-4-one

7-(4-hydroxyphenyl)-3H-pteridin-4-one (PubChem CID 135538154) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 7-(4-hydroxyphenyl)-3H-pteridin-4-one.

Molecular Properties

Compound Name7-(4-hydroxyphenyl)-3H-pteridin-4-one
PubChem CID135538154
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC Name7-(4-hydroxyphenyl)-3H-pteridin-4-one
SMILESO=c1[nH]cnc2nc(-c3ccc(O)cc3)cnc12
InChIInChI=1S/C12H8N4O2/c17-8-3-1-7(2-4-8)9-5-13-10-11(16-9)14-6-15-12(10)18/h1-6,17H,(H,14,15,16,18)
InChIKeyVFCHWSVXSVXHCO-UHFFFAOYSA-N
XLogP1.09
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3-chlorophenyl)-3H-pteridin-4-one
CID 135737554
6-(3-methylphenyl)-3H-pteridin-4-one
CID 155956896
7-[(2R)-2-methylcyclohexyl]-3H-pteridin-4-one
CID 135435192
2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one
CID 135410720
3-phenyl-6,7-dihydropyrazino[2,3-d]pyridazine-5,8-dione
CID 131845977
5-phenyl-3H-imidazo[4,5-b]pyrazine
CID 142671965
6-methoxy-3H-pteridin-4-one
CID 135742619
5-pyridin-4-yl-3H-imidazo[4,5-b]pyrazine
CID 123529033
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
1,7-dihydropurin-6-one
CID 135546991
3-methyl-6H-pyrimido[5,4-e][1,2,4]triazin-5-one
CID 135460323
5-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one
CID 136608447

Frequently Asked Questions

What is the IUPAC name of 7-(4-hydroxyphenyl)-3H-pteridin-4-one?
The IUPAC name of 7-(4-hydroxyphenyl)-3H-pteridin-4-one (CID 135538154) is 7-(4-hydroxyphenyl)-3H-pteridin-4-one.
What is the SMILES notation for 7-(4-hydroxyphenyl)-3H-pteridin-4-one?
The canonical SMILES for 7-(4-hydroxyphenyl)-3H-pteridin-4-one is O=c1[nH]cnc2nc(-c3ccc(O)cc3)cnc12.
What is the InChIKey of 7-(4-hydroxyphenyl)-3H-pteridin-4-one?
The InChIKey is VFCHWSVXSVXHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c17-8-3-1-7(2-4-8)9-5-13-10-11(16-9)14-6-15-12(10)18/h1-6,17H,(H,14,15,16,18).
What are the key properties of 7-(4-hydroxyphenyl)-3H-pteridin-4-one?
7-(4-hydroxyphenyl)-3H-pteridin-4-one has a molecular weight of 240.22 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-hydroxyphenyl)-3H-pteridin-4-one is sourced from PubChem (CID 135538154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).