2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phosphanylethoxy)phenol

C13H16N3O2P — CID 137252842

IUPAC2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phosphanylethoxy)phenol
SMILESCc1nc(C)nc(-c2ccc(OCCP)cc2O)n1
InChIInChI=1S/C13H16N3O2P/c1-8-14-9(2)16-13(15-8)11-4-3-10(7-12(11)17)18-5-6-19/h3-4,7,17H,5-6,19H2,1-2H3
InChIKeyXIORWLPAGYXFDJ-UHFFFAOYSA-N
MW277.26 g/mol
LogP2.11
Rot. Bonds4

About 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phosphanylethoxy)phenol

2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phosphanylethoxy)phenol (PubChem CID 137252842) has the molecular formula C13H16N3O2P and a molecular weight of 277.26 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phosphanylethoxy)phenol.

Molecular Properties

Compound Name2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phosphanylethoxy)phenol
PubChem CID137252842
Molecular FormulaC13H16N3O2P
Molecular Weight277.26 g/mol
Exact Mass277.10
IUPAC Name2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phosphanylethoxy)phenol
SMILESCc1nc(C)nc(-c2ccc(OCCP)cc2O)n1
InChIInChI=1S/C13H16N3O2P/c1-8-14-9(2)16-13(15-8)11-4-3-10(7-12(11)17)18-5-6-19/h3-4,7,17H,5-6,19H2,1-2H3
InChIKeyXIORWLPAGYXFDJ-UHFFFAOYSA-N
XLogP2.11
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phosphanylethoxy)phenol?
The IUPAC name of 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phosphanylethoxy)phenol (CID 137252842) is 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phosphanylethoxy)phenol.
What is the SMILES notation for 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phosphanylethoxy)phenol?
The canonical SMILES for 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phosphanylethoxy)phenol is Cc1nc(C)nc(-c2ccc(OCCP)cc2O)n1.
What is the InChIKey of 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phosphanylethoxy)phenol?
The InChIKey is XIORWLPAGYXFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N3O2P/c1-8-14-9(2)16-13(15-8)11-4-3-10(7-12(11)17)18-5-6-19/h3-4,7,17H,5-6,19H2,1-2H3.
What are the key properties of 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phosphanylethoxy)phenol?
2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phosphanylethoxy)phenol has a molecular weight of 277.26 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phosphanylethoxy)phenol is sourced from PubChem (CID 137252842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).