2-(benzotriazol-2-yl)-4-methylphenol;ethane

C17H23N3O — CID 91212938

IUPAC2-(benzotriazol-2-yl)-4-methylphenol;ethane
SMILESCC.CC.Cc1ccc(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C13H11N3O.2C2H6/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16;2*1-2/h2-8,17H,1H3;2*1-2H3
InChIKeyDZJVYUJJOSJOPI-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.49
Rot. Bonds1

About 2-(benzotriazol-2-yl)-4-methylphenol;ethane

2-(benzotriazol-2-yl)-4-methylphenol;ethane (PubChem CID 91212938) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4-methylphenol;ethane.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4-methylphenol;ethane
PubChem CID91212938
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(benzotriazol-2-yl)-4-methylphenol;ethane
SMILESCC.CC.Cc1ccc(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C13H11N3O.2C2H6/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16;2*1-2/h2-8,17H,1H3;2*1-2H3
InChIKeyDZJVYUJJOSJOPI-UHFFFAOYSA-N
XLogP4.49
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzotriazol-2-yl)phenol;ethane
CID 54470609
2-(benzotriazol-2-yl)-4-phosphanylphenol
CID 175937405
2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-4-methylphenol
CID 157340396
2-(benzotriazol-2-yl)-4,6-dimethylphenol
CID 90698610
2-(benzotriazol-2-yl)-4-[[3-(benzotriazol-2-yl)-4-hydroxyphenyl]methyl]phenol
CID 20596233
2-(benzotriazol-2-yl)-4-prop-1-enylphenol
CID 172745100
5-methyl-2-(5-methylbenzotriazol-2-yl)phenol
CID 54003664
2-[4-[1-(chloromethyl)benzotriazol-4-yl]benzotriazol-2-yl]-4-methylphenol
CID 175708313
[3-(benzotriazol-2-yl)-4-hydroxyphenyl]methanesulfonic acid
CID 139877706
4-methyl-2-(triazolo[4,5-f][1,2,3]benzotriazin-2-yl)phenol
CID 175691214
2-(benzotriazol-2-yl)-4-[2,2,6,6-tetramethyl-3,5-di(propan-2-yl)heptan-4-yl]phenol
CID 135326392
2-(4,6-dimethylbenzotriazol-2-yl)benzene-1,4-diol
CID 135672596

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-4-methylphenol;ethane?
The IUPAC name of 2-(benzotriazol-2-yl)-4-methylphenol;ethane (CID 91212938) is 2-(benzotriazol-2-yl)-4-methylphenol;ethane.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4-methylphenol;ethane?
The canonical SMILES for 2-(benzotriazol-2-yl)-4-methylphenol;ethane is CC.CC.Cc1ccc(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4-methylphenol;ethane?
The InChIKey is DZJVYUJJOSJOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O.2C2H6/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16;2*1-2/h2-8,17H,1H3;2*1-2H3.
What are the key properties of 2-(benzotriazol-2-yl)-4-methylphenol;ethane?
2-(benzotriazol-2-yl)-4-methylphenol;ethane has a molecular weight of 285.39 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-4-methylphenol;ethane is sourced from PubChem (CID 91212938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).