2-(benzotriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol

C14H11Cl2N3O — CID 53377790

IUPAC2-(benzotriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
SMILESOC(Cn1nnc2ccccc21)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N3O/c15-9-5-6-10(11(16)7-9)14(20)8-19-13-4-2-1-3-12(13)17-18-19/h1-7,14,20H,8H2
InChIKeyCGWJOHXRJWEHLD-UHFFFAOYSA-N
MW308.17 g/mol
LogP3.47
Rot. Bonds3

About 2-(benzotriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol

2-(benzotriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol (PubChem CID 53377790) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
PubChem CID53377790
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC Name2-(benzotriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
SMILESOC(Cn1nnc2ccccc21)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N3O/c15-9-5-6-10(11(16)7-9)14(20)8-19-13-4-2-1-3-12(13)17-18-19/h1-7,14,20H,8H2
InChIKeyCGWJOHXRJWEHLD-UHFFFAOYSA-N
XLogP3.47
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
The IUPAC name of 2-(benzotriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol (CID 53377790) is 2-(benzotriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
The canonical SMILES for 2-(benzotriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol is OC(Cn1nnc2ccccc21)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(benzotriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
The InChIKey is CGWJOHXRJWEHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c15-9-5-6-10(11(16)7-9)14(20)8-19-13-4-2-1-3-12(13)17-18-19/h1-7,14,20H,8H2.
What are the key properties of 2-(benzotriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
2-(benzotriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol has a molecular weight of 308.17 g/mol, XLogP of 3.47, 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-(2,4-dichlorophenyl)ethanol is sourced from PubChem (CID 53377790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).