2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;ethane

C16H18ClN3O — CID 54559127

IUPAC2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;ethane
SMILESCC.Cc1cc(C)c(O)c(-n2nc3ccc(Cl)cc3n2)c1
InChIInChI=1S/C14H12ClN3O.C2H6/c1-8-5-9(2)14(19)13(6-8)18-16-11-4-3-10(15)7-12(11)17-18;1-2/h3-7,19H,1-2H3;1-2H3
InChIKeyZPHDYUIBRFBMNW-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.42
Rot. Bonds1

About 2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;ethane

2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;ethane (PubChem CID 54559127) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;ethane.

Molecular Properties

Compound Name2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;ethane
PubChem CID54559127
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;ethane
SMILESCC.Cc1cc(C)c(O)c(-n2nc3ccc(Cl)cc3n2)c1
InChIInChI=1S/C14H12ClN3O.C2H6/c1-8-5-9(2)14(19)13(6-8)18-16-11-4-3-10(15)7-12(11)17-18;1-2/h3-7,19H,1-2H3;1-2H3
InChIKeyZPHDYUIBRFBMNW-UHFFFAOYSA-N
XLogP4.42
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chlorobenzotriazol-2-yl)-6-(chloromethyl)-4-methylphenol
CID 67294335
2-(benzotriazol-2-yl)-4,6-dimethylphenol
CID 90698610
1-[3-(5-chlorobenzotriazol-2-yl)-2-hydroxy-5-methylphenyl]ethanone
CID 66970050
2-(5-iodobenzotriazol-2-yl)-4,6-dimethylphenol
CID 144572646
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methylphenol;uranium;vanadium
CID 159773786
2-(5,6-dimethylbenzotriazol-2-yl)-4,6-dimethylphenol;propan-2-one
CID 90812994
5-chloro-2-(2,4,5-trimethylphenyl)benzotriazole
CID 57072452
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(trideuteriomethyl)phenol
CID 139026087
N-[2-(2-hydroxy-3,5-dimethylphenyl)benzotriazol-5-yl]-3-oxobutanamide
CID 14274283
2-(5-chlorobenzotriazol-2-yl)-6-(2-ethylhexoxymethyl)-4-methylphenol
CID 67294257
2-[3-(5-chlorobenzotriazol-2-yl)-2-hydroxy-5-methylphenyl]ethyl prop-2-enoate
CID 141065796
2-(2-hydroxy-3,5-dimethylphenyl)-5,7,8-trimethyltriazolo[4,5-g]quinolin-6-one
CID 70958494

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;ethane?
The IUPAC name of 2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;ethane (CID 54559127) is 2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;ethane.
What is the SMILES notation for 2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;ethane?
The canonical SMILES for 2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;ethane is CC.Cc1cc(C)c(O)c(-n2nc3ccc(Cl)cc3n2)c1.
What is the InChIKey of 2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;ethane?
The InChIKey is ZPHDYUIBRFBMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O.C2H6/c1-8-5-9(2)14(19)13(6-8)18-16-11-4-3-10(15)7-12(11)17-18;1-2/h3-7,19H,1-2H3;1-2H3.
What are the key properties of 2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;ethane?
2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;ethane has a molecular weight of 303.79 g/mol, XLogP of 4.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;ethane is sourced from PubChem (CID 54559127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).