[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]methanol

C22H17N3O2 — CID 70037860

IUPAC[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]methanol
SMILESOCOc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H17N3O2/c26-15-27-19-14-8-7-13-18(19)22-24-20(16-9-3-1-4-10-16)23-21(25-22)17-11-5-2-6-12-17/h1-14,26H,15H2
InChIKeyOWVJZLCQEYUWHW-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.20
Rot. Bonds5

About [2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]methanol

[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]methanol (PubChem CID 70037860) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is [2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]methanol.

Molecular Properties

Compound Name[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]methanol
PubChem CID70037860
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]methanol
SMILESOCOc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H17N3O2/c26-15-27-19-14-8-7-13-18(19)22-24-20(16-9-3-1-4-10-16)23-21(25-22)17-11-5-2-6-12-17/h1-14,26H,15H2
InChIKeyOWVJZLCQEYUWHW-UHFFFAOYSA-N
XLogP4.20
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]methanol?
The IUPAC name of [2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]methanol (CID 70037860) is [2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]methanol.
What is the SMILES notation for [2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]methanol?
The canonical SMILES for [2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]methanol is OCOc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of [2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]methanol?
The InChIKey is OWVJZLCQEYUWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c26-15-27-19-14-8-7-13-18(19)22-24-20(16-9-3-1-4-10-16)23-21(25-22)17-11-5-2-6-12-17/h1-14,26H,15H2.
What are the key properties of [2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]methanol?
[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]methanol has a molecular weight of 355.40 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]methanol is sourced from PubChem (CID 70037860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).