4-(4-phenylphenoxy)-1H-pyrimidin-6-one

C16H12N2O2 — CID 103240907

IUPAC4-(4-phenylphenoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(Oc2ccc(-c3ccccc3)cc2)nc[nH]1
InChIInChI=1S/C16H12N2O2/c19-15-10-16(18-11-17-15)20-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H,17,18,19)
InChIKeyFFVHFDFJNLPQLX-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.23
Rot. Bonds3

About 4-(4-phenylphenoxy)-1H-pyrimidin-6-one

4-(4-phenylphenoxy)-1H-pyrimidin-6-one (PubChem CID 103240907) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-(4-phenylphenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-phenylphenoxy)-1H-pyrimidin-6-one
PubChem CID103240907
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name4-(4-phenylphenoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(Oc2ccc(-c3ccccc3)cc2)nc[nH]1
InChIInChI=1S/C16H12N2O2/c19-15-10-16(18-11-17-15)20-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H,17,18,19)
InChIKeyFFVHFDFJNLPQLX-UHFFFAOYSA-N
XLogP3.23
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylphenoxy)-1H-pyrimidin-6-one
CID 103240916
4-(4-methoxyphenoxy)-1H-pyrimidin-6-one
CID 103241207
4-[4-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one
CID 103241999
4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one
CID 114580982
4-(3-aminophenoxy)-1H-pyrimidin-6-one
CID 114578576
4-(2,3-dihydro-1H-inden-5-yloxy)-1H-pyrimidin-6-one
CID 103241277
4-[4-(aminomethyl)-3-fluorophenoxy]-1H-pyrimidin-6-one
CID 114585970
4-phenoxy-2-phenyl-1H-pyrimidin-6-one
CID 13185841
6-phenyl-3H-quinazolin-4-one
CID 135741302
2-(4-phenylphenoxy)pyrazine
CID 518373
5-fluoro-2-[(6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 114585791
4-(2-amino-5-fluorophenoxy)-1H-pyrimidin-6-one
CID 114578605

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-phenylphenoxy)-1H-pyrimidin-6-one (CID 103240907) is 4-(4-phenylphenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-phenylphenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-phenylphenoxy)-1H-pyrimidin-6-one is O=c1cc(Oc2ccc(-c3ccccc3)cc2)nc[nH]1.
What is the InChIKey of 4-(4-phenylphenoxy)-1H-pyrimidin-6-one?
The InChIKey is FFVHFDFJNLPQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-15-10-16(18-11-17-15)20-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H,17,18,19).
What are the key properties of 4-(4-phenylphenoxy)-1H-pyrimidin-6-one?
4-(4-phenylphenoxy)-1H-pyrimidin-6-one has a molecular weight of 264.28 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).