2-chloro-4-(chloromethyl)-6-phenoxy-1,3,5-triazine

C10H7Cl2N3O — CID 12870884

IUPAC2-chloro-4-(chloromethyl)-6-phenoxy-1,3,5-triazine
SMILESClCc1nc(Cl)nc(Oc2ccccc2)n1
InChIInChI=1S/C10H7Cl2N3O/c11-6-8-13-9(12)15-10(14-8)16-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyGCWIPOGDQYLTCJ-UHFFFAOYSA-N
MW256.09 g/mol
LogP3.06
Rot. Bonds3

About 2-chloro-4-(chloromethyl)-6-phenoxy-1,3,5-triazine

2-chloro-4-(chloromethyl)-6-phenoxy-1,3,5-triazine (PubChem CID 12870884) has the molecular formula C10H7Cl2N3O and a molecular weight of 256.09 g/mol. Its IUPAC name is 2-chloro-4-(chloromethyl)-6-phenoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(chloromethyl)-6-phenoxy-1,3,5-triazine
PubChem CID12870884
Molecular FormulaC10H7Cl2N3O
Molecular Weight256.09 g/mol
Exact Mass255.00
IUPAC Name2-chloro-4-(chloromethyl)-6-phenoxy-1,3,5-triazine
SMILESClCc1nc(Cl)nc(Oc2ccccc2)n1
InChIInChI=1S/C10H7Cl2N3O/c11-6-8-13-9(12)15-10(14-8)16-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyGCWIPOGDQYLTCJ-UHFFFAOYSA-N
XLogP3.06
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Chlorophenoxy)-4-methyl-6-(trichloromethyl)-1,3,5-triazine
CID 76331009
2,4-Dichloro-6-(4-fluorophenoxy)-1,3,5-triazine
CID 2782796
2,4-Dichloro-6-phenoxy-1,3,5-triazine
CID 20807
2,4-Dichloro-6-(3-fluorophenoxy)-1,3,5-triazine
CID 2782795
4-chloro-N-(phenoxymethyl)-N-propyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 88247314
4-(2-Fluorophenoxy)-6-methyl-1,3,5-triazin-2-amine
CID 122641808
4-(2-Fluorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 122641811
2,4-Diphenoxy-6-(trifluoromethyl)-1,3,5-triazine
CID 153794094
2,4-Bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-phenoxy-1,3,5-triazine
CID 15522407
2,4-Dichloro-6-(2-fluorophenoxy)-1,3,5-triazine
CID 60727081
2-Methyl-4,6-diphenoxy-1,3,5-triazine
CID 12920
2-Chloro-4-methyl-6-phenoxy-1,3,5-triazine
CID 12870883

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(chloromethyl)-6-phenoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(chloromethyl)-6-phenoxy-1,3,5-triazine (CID 12870884) is 2-chloro-4-(chloromethyl)-6-phenoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(chloromethyl)-6-phenoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(chloromethyl)-6-phenoxy-1,3,5-triazine is ClCc1nc(Cl)nc(Oc2ccccc2)n1.
What is the InChIKey of 2-chloro-4-(chloromethyl)-6-phenoxy-1,3,5-triazine?
The InChIKey is GCWIPOGDQYLTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O/c11-6-8-13-9(12)15-10(14-8)16-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 2-chloro-4-(chloromethyl)-6-phenoxy-1,3,5-triazine?
2-chloro-4-(chloromethyl)-6-phenoxy-1,3,5-triazine has a molecular weight of 256.09 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(chloromethyl)-6-phenoxy-1,3,5-triazine is sourced from PubChem (CID 12870884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).