2-(benzotriazol-1-yl)-1-(2-methylphenyl)ethanol

C15H15N3O — CID 135022018

IUPAC2-(benzotriazol-1-yl)-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(O)Cn1nnc2ccccc21
InChIInChI=1S/C15H15N3O/c1-11-6-2-3-7-12(11)15(19)10-18-14-9-5-4-8-13(14)16-17-18/h2-9,15,19H,10H2,1H3
InChIKeyUQUXTURLZFMQJV-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.47
Rot. Bonds3

About 2-(benzotriazol-1-yl)-1-(2-methylphenyl)ethanol

2-(benzotriazol-1-yl)-1-(2-methylphenyl)ethanol (PubChem CID 135022018) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1-(2-methylphenyl)ethanol
PubChem CID135022018
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-(benzotriazol-1-yl)-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(O)Cn1nnc2ccccc21
InChIInChI=1S/C15H15N3O/c1-11-6-2-3-7-12(11)15(19)10-18-14-9-5-4-8-13(14)16-17-18/h2-9,15,19H,10H2,1H3
InChIKeyUQUXTURLZFMQJV-UHFFFAOYSA-N
XLogP2.47
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-1,2,3-Benzotriazol-1-ylmethyl)phenol
CID 3491594
(1-methyl-1H-1,2,3-benzotriazol-5-yl)methanol
CID 2776552
2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-methylphenol
CID 3696191
1-(4-Aminophenyl)-2-(benzotriazol-1-yl)ethanol
CID 15959245
2-(Benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanol
CID 15959248
2-(Benzotriazol-1-yl)-1-(4-dimethylaminophenyl)ethanol
CID 15959249
2-[1-(1H-1,2,3-Benzotriazol-1-yl)ethyl]-6-methylphenol
CID 3803619
2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-tert-butylphenol
CID 3828526
4-((2,3-Dimethylphenyl)azo)-alpha,5-diphenyl-3-methyl-1H-pyrazole-1-ethanol
CID 207803
3-(Benzotriazol-1-yl)-1-phenylpropan-1-ol
CID 3525185
2-(Benzotriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
CID 53377790
(2R,3R,4R)-3-(benzotriazol-1-yl)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-ol
CID 172440198

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-1-(2-methylphenyl)ethanol?
The IUPAC name of 2-(benzotriazol-1-yl)-1-(2-methylphenyl)ethanol (CID 135022018) is 2-(benzotriazol-1-yl)-1-(2-methylphenyl)ethanol.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1-(2-methylphenyl)ethanol?
The canonical SMILES for 2-(benzotriazol-1-yl)-1-(2-methylphenyl)ethanol is Cc1ccccc1C(O)Cn1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-1-(2-methylphenyl)ethanol?
The InChIKey is UQUXTURLZFMQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-11-6-2-3-7-12(11)15(19)10-18-14-9-5-4-8-13(14)16-17-18/h2-9,15,19H,10H2,1H3.
What are the key properties of 2-(benzotriazol-1-yl)-1-(2-methylphenyl)ethanol?
2-(benzotriazol-1-yl)-1-(2-methylphenyl)ethanol has a molecular weight of 253.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-1-(2-methylphenyl)ethanol is sourced from PubChem (CID 135022018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).