2-chloro-4-[(4-chlorophenyl)methoxy]-6-methyl-1,3,5-triazine

C11H9Cl2N3O — CID 145028932

IUPAC2-chloro-4-[(4-chlorophenyl)methoxy]-6-methyl-1,3,5-triazine
SMILESCc1nc(Cl)nc(OCc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H9Cl2N3O/c1-7-14-10(13)16-11(15-7)17-6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3
InChIKeyVAEVDPBYXXFYGZ-UHFFFAOYSA-N
MW270.12 g/mol
LogP3.07
Rot. Bonds3

About 2-chloro-4-[(4-chlorophenyl)methoxy]-6-methyl-1,3,5-triazine

2-chloro-4-[(4-chlorophenyl)methoxy]-6-methyl-1,3,5-triazine (PubChem CID 145028932) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is 2-chloro-4-[(4-chlorophenyl)methoxy]-6-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-[(4-chlorophenyl)methoxy]-6-methyl-1,3,5-triazine
PubChem CID145028932
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC Name2-chloro-4-[(4-chlorophenyl)methoxy]-6-methyl-1,3,5-triazine
SMILESCc1nc(Cl)nc(OCc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H9Cl2N3O/c1-7-14-10(13)16-11(15-7)17-6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3
InChIKeyVAEVDPBYXXFYGZ-UHFFFAOYSA-N
XLogP3.07
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-chlorophenyl)methoxy]-6-methyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-[(4-chlorophenyl)methoxy]-6-methyl-1,3,5-triazine (CID 145028932) is 2-chloro-4-[(4-chlorophenyl)methoxy]-6-methyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-[(4-chlorophenyl)methoxy]-6-methyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-[(4-chlorophenyl)methoxy]-6-methyl-1,3,5-triazine is Cc1nc(Cl)nc(OCc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-chloro-4-[(4-chlorophenyl)methoxy]-6-methyl-1,3,5-triazine?
The InChIKey is VAEVDPBYXXFYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c1-7-14-10(13)16-11(15-7)17-6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3.
What are the key properties of 2-chloro-4-[(4-chlorophenyl)methoxy]-6-methyl-1,3,5-triazine?
2-chloro-4-[(4-chlorophenyl)methoxy]-6-methyl-1,3,5-triazine has a molecular weight of 270.12 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(4-chlorophenyl)methoxy]-6-methyl-1,3,5-triazine is sourced from PubChem (CID 145028932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).