2-(5,6-dichlorobenzotriazol-2-yl)-4-methoxyphenol

C13H9Cl2N3O2 — CID 18466278

IUPAC2-(5,6-dichlorobenzotriazol-2-yl)-4-methoxyphenol
SMILESCOc1ccc(O)c(-n2nc3cc(Cl)c(Cl)cc3n2)c1
InChIInChI=1S/C13H9Cl2N3O2/c1-20-7-2-3-13(19)12(4-7)18-16-10-5-8(14)9(15)6-11(10)17-18/h2-6,19H,1H3
InChIKeyXOUKAFQGWXRKJO-UHFFFAOYSA-N
MW310.14 g/mol
LogP3.44
Rot. Bonds2

About 2-(5,6-dichlorobenzotriazol-2-yl)-4-methoxyphenol

2-(5,6-dichlorobenzotriazol-2-yl)-4-methoxyphenol (PubChem CID 18466278) has the molecular formula C13H9Cl2N3O2 and a molecular weight of 310.14 g/mol. Its IUPAC name is 2-(5,6-dichlorobenzotriazol-2-yl)-4-methoxyphenol.

Molecular Properties

Compound Name2-(5,6-dichlorobenzotriazol-2-yl)-4-methoxyphenol
PubChem CID18466278
Molecular FormulaC13H9Cl2N3O2
Molecular Weight310.14 g/mol
Exact Mass309.01
IUPAC Name2-(5,6-dichlorobenzotriazol-2-yl)-4-methoxyphenol
SMILESCOc1ccc(O)c(-n2nc3cc(Cl)c(Cl)cc3n2)c1
InChIInChI=1S/C13H9Cl2N3O2/c1-20-7-2-3-13(19)12(4-7)18-16-10-5-8(14)9(15)6-11(10)17-18/h2-6,19H,1H3
InChIKeyXOUKAFQGWXRKJO-UHFFFAOYSA-N
XLogP3.44
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-Dichloro-2-(4-methoxyphenyl)benzotriazole
CID 127035173
2-(2-Hydroxy-5-methoxyphenyl)benzotriazole
CID 11160823
2-(5-chloro-2H-benzo[d][1,2,3]triazol-2-yl)phenol
CID 13580836
2-(5-Chlorobenzotriazol-2-yl)-5-methoxyphenol
CID 13953253
[3-(5-Chlorobenzotriazol-2-yl)-4-hydroxyphenyl] 2-methylprop-2-enoate
CID 17847991
2-(Benzotriazol-2-yl)-4,5-dichlorophenol
CID 18466269
5-Amino-2-(5-chlorobenzotriazol-2-yl)phenol
CID 18668107
2-Tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methoxyphenol
CID 20824830
4-(5-Chlorobenzotriazol-2-yl)-2,5-dimethoxyphenol
CID 21390066
2-(Benzotriazol-2-yl)-4-propoxyphenol
CID 21799165
2-(Benzotriazol-2-yl)-4-butoxyphenol
CID 21811521
2-(Benzotriazol-2-yl)-4-octoxyphenol
CID 22388740

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichlorobenzotriazol-2-yl)-4-methoxyphenol?
The IUPAC name of 2-(5,6-dichlorobenzotriazol-2-yl)-4-methoxyphenol (CID 18466278) is 2-(5,6-dichlorobenzotriazol-2-yl)-4-methoxyphenol.
What is the SMILES notation for 2-(5,6-dichlorobenzotriazol-2-yl)-4-methoxyphenol?
The canonical SMILES for 2-(5,6-dichlorobenzotriazol-2-yl)-4-methoxyphenol is COc1ccc(O)c(-n2nc3cc(Cl)c(Cl)cc3n2)c1.
What is the InChIKey of 2-(5,6-dichlorobenzotriazol-2-yl)-4-methoxyphenol?
The InChIKey is XOUKAFQGWXRKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O2/c1-20-7-2-3-13(19)12(4-7)18-16-10-5-8(14)9(15)6-11(10)17-18/h2-6,19H,1H3.
What are the key properties of 2-(5,6-dichlorobenzotriazol-2-yl)-4-methoxyphenol?
2-(5,6-dichlorobenzotriazol-2-yl)-4-methoxyphenol has a molecular weight of 310.14 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichlorobenzotriazol-2-yl)-4-methoxyphenol is sourced from PubChem (CID 18466278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).