5-chloro-2-(2,5-diethylphenyl)benzotriazole

C16H16ClN3 — CID 57006014

IUPAC5-chloro-2-(2,5-diethylphenyl)benzotriazole
SMILESCCc1ccc(CC)c(-n2nc3ccc(Cl)cc3n2)c1
InChIInChI=1S/C16H16ClN3/c1-3-11-5-6-12(4-2)16(9-11)20-18-14-8-7-13(17)10-15(14)19-20/h5-10H,3-4H2,1-2H3
InChIKeyRWPFNULWNFGTRE-UHFFFAOYSA-N
MW285.78 g/mol
LogP4.20
Rot. Bonds3

About 5-chloro-2-(2,5-diethylphenyl)benzotriazole

5-chloro-2-(2,5-diethylphenyl)benzotriazole (PubChem CID 57006014) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 5-chloro-2-(2,5-diethylphenyl)benzotriazole.

Molecular Properties

Compound Name5-chloro-2-(2,5-diethylphenyl)benzotriazole
PubChem CID57006014
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name5-chloro-2-(2,5-diethylphenyl)benzotriazole
SMILESCCc1ccc(CC)c(-n2nc3ccc(Cl)cc3n2)c1
InChIInChI=1S/C16H16ClN3/c1-3-11-5-6-12(4-2)16(9-11)20-18-14-8-7-13(17)10-15(14)19-20/h5-10H,3-4H2,1-2H3
InChIKeyRWPFNULWNFGTRE-UHFFFAOYSA-N
XLogP4.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(2,4,5-trimethylphenyl)benzotriazole
CID 57072452
2-(5-chlorobenzotriazol-2-yl)-4-prop-2-enylphenol
CID 70631228
2-[4-(aminomethyl)-2-(5-chlorobenzotriazol-2-yl)phenyl]-2-methylpropan-1-ol
CID 174785716
3-[3-(5-chlorobenzotriazol-2-yl)-5-ethyl-4-hydroxyphenyl]propyl 2-methylprop-2-enoate
CID 59915533
2-(5-chlorobenzotriazol-2-yl)-6-(chloromethyl)-4-methylphenol
CID 67294335
2,6-ditert-butyl-4-[[3-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]methyl]phenol
CID 88766235
[3-(5-chlorobenzotriazol-2-yl)-4-(2-hydroxyethyl)phenyl] but-2-enoate
CID 152630083
octyl 3-[2-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]propanoate
CID 141137554
2-[3-(5-chlorobenzotriazol-2-yl)-4-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]acetohydrazide
CID 139839139
2-(5-chlorobenzotriazol-2-yl)-5-(ethylamino)-4-methylphenol
CID 168899497
4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)phenol
CID 3014188
2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;ethane
CID 54559127

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,5-diethylphenyl)benzotriazole?
The IUPAC name of 5-chloro-2-(2,5-diethylphenyl)benzotriazole (CID 57006014) is 5-chloro-2-(2,5-diethylphenyl)benzotriazole.
What is the SMILES notation for 5-chloro-2-(2,5-diethylphenyl)benzotriazole?
The canonical SMILES for 5-chloro-2-(2,5-diethylphenyl)benzotriazole is CCc1ccc(CC)c(-n2nc3ccc(Cl)cc3n2)c1.
What is the InChIKey of 5-chloro-2-(2,5-diethylphenyl)benzotriazole?
The InChIKey is RWPFNULWNFGTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-3-11-5-6-12(4-2)16(9-11)20-18-14-8-7-13(17)10-15(14)19-20/h5-10H,3-4H2,1-2H3.
What are the key properties of 5-chloro-2-(2,5-diethylphenyl)benzotriazole?
5-chloro-2-(2,5-diethylphenyl)benzotriazole has a molecular weight of 285.78 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,5-diethylphenyl)benzotriazole is sourced from PubChem (CID 57006014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).