2-chloro-4-(4-chloro-3-ethylphenoxy)-6-ethoxy-1,3,5-triazine

C13H13Cl2N3O2 — CID 62859376

IUPAC2-chloro-4-(4-chloro-3-ethylphenoxy)-6-ethoxy-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(Oc2ccc(Cl)c(CC)c2)n1
InChIInChI=1S/C13H13Cl2N3O2/c1-3-8-7-9(5-6-10(8)14)20-13-17-11(15)16-12(18-13)19-4-2/h5-7H,3-4H2,1-2H3
InChIKeyYISXARQOCDDZTC-UHFFFAOYSA-N
MW314.17 g/mol
LogP3.93
Rot. Bonds5

About 2-chloro-4-(4-chloro-3-ethylphenoxy)-6-ethoxy-1,3,5-triazine

2-chloro-4-(4-chloro-3-ethylphenoxy)-6-ethoxy-1,3,5-triazine (PubChem CID 62859376) has the molecular formula C13H13Cl2N3O2 and a molecular weight of 314.17 g/mol. Its IUPAC name is 2-chloro-4-(4-chloro-3-ethylphenoxy)-6-ethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(4-chloro-3-ethylphenoxy)-6-ethoxy-1,3,5-triazine
PubChem CID62859376
Molecular FormulaC13H13Cl2N3O2
Molecular Weight314.17 g/mol
Exact Mass313.04
IUPAC Name2-chloro-4-(4-chloro-3-ethylphenoxy)-6-ethoxy-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(Oc2ccc(Cl)c(CC)c2)n1
InChIInChI=1S/C13H13Cl2N3O2/c1-3-8-7-9(5-6-10(8)14)20-13-17-11(15)16-12(18-13)19-4-2/h5-7H,3-4H2,1-2H3
InChIKeyYISXARQOCDDZTC-UHFFFAOYSA-N
XLogP3.93
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-ethoxy-6-(4-ethylphenoxy)-1,3,5-triazine
CID 62859372
2-chloro-4-ethoxy-6-(3-iodophenoxy)-1,3,5-triazine
CID 62859033
2-(4-chloro-3-ethylphenoxy)-5-iodopyrimidine
CID 116649173
2-(4-chloro-3-ethylphenoxy)pyrimidine-5-carboxylic acid
CID 113387803
2-(4-butylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine
CID 115492564
4-(4-chlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80863734
2-chloro-4-(3,4-dichlorophenoxy)-6-propan-2-yloxy-1,3,5-triazine
CID 62869132
4-chloro-6-(4-ethoxyphenoxy)-1,3,5-triazin-2-amine
CID 80863190
2-[4-[3,5-bis[4-[(4-butoxy-6-chloro-1,3,5-triazin-2-yl)oxy]phenyl]phenyl]phenoxy]-4-butoxy-6-chloro-1,3,5-triazine
CID 51355816
2-(4-chloro-3-ethylphenoxy)pyrimidine-4-carboximidamide
CID 107551013
5-chloro-2-(4-chloro-3-ethylphenoxy)-4-(chloromethyl)pyridine
CID 114921279
4-(4-chloro-3-ethylphenoxy)-5-(chloromethyl)-2-methylpyridine
CID 81233958

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-chloro-3-ethylphenoxy)-6-ethoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(4-chloro-3-ethylphenoxy)-6-ethoxy-1,3,5-triazine (CID 62859376) is 2-chloro-4-(4-chloro-3-ethylphenoxy)-6-ethoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(4-chloro-3-ethylphenoxy)-6-ethoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(4-chloro-3-ethylphenoxy)-6-ethoxy-1,3,5-triazine is CCOc1nc(Cl)nc(Oc2ccc(Cl)c(CC)c2)n1.
What is the InChIKey of 2-chloro-4-(4-chloro-3-ethylphenoxy)-6-ethoxy-1,3,5-triazine?
The InChIKey is YISXARQOCDDZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2/c1-3-8-7-9(5-6-10(8)14)20-13-17-11(15)16-12(18-13)19-4-2/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-chloro-4-(4-chloro-3-ethylphenoxy)-6-ethoxy-1,3,5-triazine?
2-chloro-4-(4-chloro-3-ethylphenoxy)-6-ethoxy-1,3,5-triazine has a molecular weight of 314.17 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-chloro-3-ethylphenoxy)-6-ethoxy-1,3,5-triazine is sourced from PubChem (CID 62859376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).