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

C14H12ClN3O — CID 56837220

IUPAC2-(benzotriazol-1-yl)-1-(2-chlorophenyl)ethanol
SMILESOC(Cn1nnc2ccccc21)c1ccccc1Cl
InChIInChI=1S/C14H12ClN3O/c15-11-6-2-1-5-10(11)14(19)9-18-13-8-4-3-7-12(13)16-17-18/h1-8,14,19H,9H2
InChIKeyOKCGKPAKEWLIMX-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.82
Rot. Bonds3

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

2-(benzotriazol-1-yl)-1-(2-chlorophenyl)ethanol (PubChem CID 56837220) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1-(2-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1-(2-chlorophenyl)ethanol
PubChem CID56837220
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name2-(benzotriazol-1-yl)-1-(2-chlorophenyl)ethanol
SMILESOC(Cn1nnc2ccccc21)c1ccccc1Cl
InChIInChI=1S/C14H12ClN3O/c15-11-6-2-1-5-10(11)14(19)9-18-13-8-4-3-7-12(13)16-17-18/h1-8,14,19H,9H2
InChIKeyOKCGKPAKEWLIMX-UHFFFAOYSA-N
XLogP2.82
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzotriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
CID 53377790
1-(2-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanol
CID 47276894
3-(benzotriazol-1-yl)propane-1,1-diol
CID 66686231
2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide
CID 110897801
2-(4-chloro-5-methylpyrazol-1-yl)-1-(2-chlorophenyl)ethanol
CID 109411972
(2S)-3-(benzotriazol-1-yl)-2-methylpropanamide
CID 139088366
1-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanol
CID 82087522
1-(benzotriazol-1-yl)-3-phenothiazin-10-ylpropan-2-ol
CID 2897268
(1R)-1-(2-chlorophenyl)-2-(triazol-1-yl)ethanol
CID 178069277
(1R)-2-bromo-1-(2-chlorophenyl)ethanol
CID 25324199
3-(benzotriazol-1-yl)-2-methylpropan-1-amine
CID 62448363
1-[(4-chlorophenyl)methyl]benzotriazole
CID 894883

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-1-(2-chlorophenyl)ethanol?
The IUPAC name of 2-(benzotriazol-1-yl)-1-(2-chlorophenyl)ethanol (CID 56837220) is 2-(benzotriazol-1-yl)-1-(2-chlorophenyl)ethanol.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1-(2-chlorophenyl)ethanol?
The canonical SMILES for 2-(benzotriazol-1-yl)-1-(2-chlorophenyl)ethanol is OC(Cn1nnc2ccccc21)c1ccccc1Cl.
What is the InChIKey of 2-(benzotriazol-1-yl)-1-(2-chlorophenyl)ethanol?
The InChIKey is OKCGKPAKEWLIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c15-11-6-2-1-5-10(11)14(19)9-18-13-8-4-3-7-12(13)16-17-18/h1-8,14,19H,9H2.
What are the key properties of 2-(benzotriazol-1-yl)-1-(2-chlorophenyl)ethanol?
2-(benzotriazol-1-yl)-1-(2-chlorophenyl)ethanol has a molecular weight of 273.72 g/mol, XLogP of 2.82, 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-chlorophenyl)ethanol is sourced from PubChem (CID 56837220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).