2,4-dichloro-6-(3,5-dimethoxyphenoxy)-1,3,5-triazine

C11H9Cl2N3O3 — CID 62858062

IUPAC2,4-dichloro-6-(3,5-dimethoxyphenoxy)-1,3,5-triazine
SMILESCOc1cc(OC)cc(Oc2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C11H9Cl2N3O3/c1-17-6-3-7(18-2)5-8(4-6)19-11-15-9(12)14-10(13)16-11/h3-5H,1-2H3
InChIKeyUXIXIKWGRXSZHQ-UHFFFAOYSA-N
MW302.12 g/mol
LogP2.99
Rot. Bonds4

About 2,4-dichloro-6-(3,5-dimethoxyphenoxy)-1,3,5-triazine

2,4-dichloro-6-(3,5-dimethoxyphenoxy)-1,3,5-triazine (PubChem CID 62858062) has the molecular formula C11H9Cl2N3O3 and a molecular weight of 302.12 g/mol. Its IUPAC name is 2,4-dichloro-6-(3,5-dimethoxyphenoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(3,5-dimethoxyphenoxy)-1,3,5-triazine
PubChem CID62858062
Molecular FormulaC11H9Cl2N3O3
Molecular Weight302.12 g/mol
Exact Mass301.00
IUPAC Name2,4-dichloro-6-(3,5-dimethoxyphenoxy)-1,3,5-triazine
SMILESCOc1cc(OC)cc(Oc2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C11H9Cl2N3O3/c1-17-6-3-7(18-2)5-8(4-6)19-11-15-9(12)14-10(13)16-11/h3-5H,1-2H3
InChIKeyUXIXIKWGRXSZHQ-UHFFFAOYSA-N
XLogP2.99
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(3,5-dimethoxyphenoxy)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(3,5-dimethoxyphenoxy)-1,3,5-triazine (CID 62858062) is 2,4-dichloro-6-(3,5-dimethoxyphenoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(3,5-dimethoxyphenoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(3,5-dimethoxyphenoxy)-1,3,5-triazine is COc1cc(OC)cc(Oc2nc(Cl)nc(Cl)n2)c1.
What is the InChIKey of 2,4-dichloro-6-(3,5-dimethoxyphenoxy)-1,3,5-triazine?
The InChIKey is UXIXIKWGRXSZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O3/c1-17-6-3-7(18-2)5-8(4-6)19-11-15-9(12)14-10(13)16-11/h3-5H,1-2H3.
What are the key properties of 2,4-dichloro-6-(3,5-dimethoxyphenoxy)-1,3,5-triazine?
2,4-dichloro-6-(3,5-dimethoxyphenoxy)-1,3,5-triazine has a molecular weight of 302.12 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(3,5-dimethoxyphenoxy)-1,3,5-triazine is sourced from PubChem (CID 62858062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).