4-(2-hydroxyphenyl)-2-phenyl-1H-pyrimidin-6-one

C16H12N2O2 — CID 135803995

IUPAC4-(2-hydroxyphenyl)-2-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2O)nc(-c2ccccc2)[nH]1
InChIInChI=1S/C16H12N2O2/c19-14-9-5-4-8-12(14)13-10-15(20)18-16(17-13)11-6-2-1-3-7-11/h1-10,19H,(H,17,18,20)
InChIKeyLLJKDEMSSVSYRN-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.81
Rot. Bonds2

About 4-(2-hydroxyphenyl)-2-phenyl-1H-pyrimidin-6-one

4-(2-hydroxyphenyl)-2-phenyl-1H-pyrimidin-6-one (PubChem CID 135803995) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-2-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-2-phenyl-1H-pyrimidin-6-one
PubChem CID135803995
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name4-(2-hydroxyphenyl)-2-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2O)nc(-c2ccccc2)[nH]1
InChIInChI=1S/C16H12N2O2/c19-14-9-5-4-8-12(14)13-10-15(20)18-16(17-13)11-6-2-1-3-7-11/h1-10,19H,(H,17,18,20)
InChIKeyLLJKDEMSSVSYRN-UHFFFAOYSA-N
XLogP2.81
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-phenethyl-3H-pyrimidin-4-one
CID 135515453
6-(2-Hydroxyphenyl)-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile
CID 23770859
2-(2-Hydroxyphenyl)-6-methyl-4-pyrimidinol
CID 135421721
2-(2-Hydroxy-phenyl)-5,6-dimethyl-3-phenethyl-3H-pyrimidin-4-one
CID 135422953
3-[2-(3-Fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)-6-methyl-5-propyl-3H-pyrimidin-4-one
CID 135423282
3-[2-(3-Fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)-5-isopropyl-6-methyl-3H-pyrimidin-4-one
CID 135430131
5-Ethyl-2-(2-hydroxy-phenyl)-6-methyl-3-phenethyl-3H-pyrimidin-4-one
CID 135454814
2-(2-Hydroxy-phenyl)-5-methyl-3-phenethyl-6-trifluoromethyl-3H-pyrimidin-4-one
CID 135537654
3-[2-(3-Fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)-5,6-dimethyl-3H-pyrimidin-4-one
CID 135540474
2-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135442372
5-(2-Hydroxybenzyl)-2-methyl-6-phenyl-4-pyrimidinol
CID 135451590
3-[2-(2-fluoro-phenyl)ethyl]-2-(2-hydroxy-phenyl)-6-methyl-3H-pyrimidin-4-one
CID 135483641

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-2-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-hydroxyphenyl)-2-phenyl-1H-pyrimidin-6-one (CID 135803995) is 4-(2-hydroxyphenyl)-2-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-hydroxyphenyl)-2-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-hydroxyphenyl)-2-phenyl-1H-pyrimidin-6-one is O=c1cc(-c2ccccc2O)nc(-c2ccccc2)[nH]1.
What is the InChIKey of 4-(2-hydroxyphenyl)-2-phenyl-1H-pyrimidin-6-one?
The InChIKey is LLJKDEMSSVSYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-14-9-5-4-8-12(14)13-10-15(20)18-16(17-13)11-6-2-1-3-7-11/h1-10,19H,(H,17,18,20).
What are the key properties of 4-(2-hydroxyphenyl)-2-phenyl-1H-pyrimidin-6-one?
4-(2-hydroxyphenyl)-2-phenyl-1H-pyrimidin-6-one has a molecular weight of 264.28 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-2-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135803995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).