6-(2-hydroxyphenyl)-4-phenoxy-1H-1,3,5-triazin-2-one

C15H11N3O3 — CID 135827465

IUPAC6-(2-hydroxyphenyl)-4-phenoxy-1H-1,3,5-triazin-2-one
SMILESO=c1nc(Oc2ccccc2)nc(-c2ccccc2O)[nH]1
InChIInChI=1S/C15H11N3O3/c19-12-9-5-4-8-11(12)13-16-14(20)18-15(17-13)21-10-6-2-1-3-7-10/h1-9,19H,(H,16,17,18,20)
InChIKeyWDZJAAUSCWZVTL-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.33
Rot. Bonds3

About 6-(2-hydroxyphenyl)-4-phenoxy-1H-1,3,5-triazin-2-one

6-(2-hydroxyphenyl)-4-phenoxy-1H-1,3,5-triazin-2-one (PubChem CID 135827465) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 6-(2-hydroxyphenyl)-4-phenoxy-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-(2-hydroxyphenyl)-4-phenoxy-1H-1,3,5-triazin-2-one
PubChem CID135827465
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name6-(2-hydroxyphenyl)-4-phenoxy-1H-1,3,5-triazin-2-one
SMILESO=c1nc(Oc2ccccc2)nc(-c2ccccc2O)[nH]1
InChIInChI=1S/C15H11N3O3/c19-12-9-5-4-8-11(12)13-16-14(20)18-15(17-13)21-10-6-2-1-3-7-10/h1-9,19H,(H,16,17,18,20)
InChIKeyWDZJAAUSCWZVTL-UHFFFAOYSA-N
XLogP2.33
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-6-naphthalen-1-yl-1H-1,3,5-triazin-2-one
CID 106513986
4-methoxy-6-[2-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-one
CID 106514778
3-(2-hydroxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135818619
2,4-dichloro-6-phenoxy-1,3,5-triazine;ethane
CID 91071262
2-(4,5-diethyl-1H-imidazol-2-yl)phenol
CID 139127100
6-(4-hydroxyphenyl)-4-phenyl-1H-1,3,5-triazin-2-one
CID 156780127
2-phenoxy-4,6-bis(sulfanyloxy)-1,3,5-triazine
CID 145326243
4,6-diphenyl-1H-1,3,5-triazin-2-one
CID 135427225
4,6-bis(2,4-dihydroxy-3-methylphenyl)-1H-1,3,5-triazin-2-one;4-[4-[4-[[4,6-bis(2,4-dihydroxy-3-methylphenyl)-1,3,5-triazin-2-yl]oxy]-2-hydroxy-3-methylphenyl]-6-(2,4-dihydroxy-3-methylphenyl)-1,3,5-triazin-2-yl]-2-methylbenzene-1,3-diol
CID 160898551
5-(diethylamino)-2-(6-phenoxy-1H-benzimidazol-2-yl)phenol
CID 169273680
2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol
CID 135621950
2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 135975716

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyphenyl)-4-phenoxy-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-(2-hydroxyphenyl)-4-phenoxy-1H-1,3,5-triazin-2-one (CID 135827465) is 6-(2-hydroxyphenyl)-4-phenoxy-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-(2-hydroxyphenyl)-4-phenoxy-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-(2-hydroxyphenyl)-4-phenoxy-1H-1,3,5-triazin-2-one is O=c1nc(Oc2ccccc2)nc(-c2ccccc2O)[nH]1.
What is the InChIKey of 6-(2-hydroxyphenyl)-4-phenoxy-1H-1,3,5-triazin-2-one?
The InChIKey is WDZJAAUSCWZVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c19-12-9-5-4-8-11(12)13-16-14(20)18-15(17-13)21-10-6-2-1-3-7-10/h1-9,19H,(H,16,17,18,20).
What are the key properties of 6-(2-hydroxyphenyl)-4-phenoxy-1H-1,3,5-triazin-2-one?
6-(2-hydroxyphenyl)-4-phenoxy-1H-1,3,5-triazin-2-one has a molecular weight of 281.27 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyphenyl)-4-phenoxy-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 135827465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).