1-(4-chlorophenyl)benzotriazol-5-ol

C12H8ClN3O — CID 69105798

IUPAC1-(4-chlorophenyl)benzotriazol-5-ol
SMILESOc1ccc2c(c1)nnn2-c1ccc(Cl)cc1
InChIInChI=1S/C12H8ClN3O/c13-8-1-3-9(4-2-8)16-12-6-5-10(17)7-11(12)14-15-16/h1-7,17H
InChIKeyCAOOQLJWYZEDSH-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.78
Rot. Bonds1

About 1-(4-chlorophenyl)benzotriazol-5-ol

1-(4-chlorophenyl)benzotriazol-5-ol (PubChem CID 69105798) has the molecular formula C12H8ClN3O and a molecular weight of 245.67 g/mol. Its IUPAC name is 1-(4-chlorophenyl)benzotriazol-5-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)benzotriazol-5-ol
PubChem CID69105798
Molecular FormulaC12H8ClN3O
Molecular Weight245.67 g/mol
Exact Mass245.04
IUPAC Name1-(4-chlorophenyl)benzotriazol-5-ol
SMILESOc1ccc2c(c1)nnn2-c1ccc(Cl)cc1
InChIInChI=1S/C12H8ClN3O/c13-8-1-3-9(4-2-8)16-12-6-5-10(17)7-11(12)14-15-16/h1-7,17H
InChIKeyCAOOQLJWYZEDSH-UHFFFAOYSA-N
XLogP2.78
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)benzotriazol-5-ol?
The IUPAC name of 1-(4-chlorophenyl)benzotriazol-5-ol (CID 69105798) is 1-(4-chlorophenyl)benzotriazol-5-ol.
What is the SMILES notation for 1-(4-chlorophenyl)benzotriazol-5-ol?
The canonical SMILES for 1-(4-chlorophenyl)benzotriazol-5-ol is Oc1ccc2c(c1)nnn2-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)benzotriazol-5-ol?
The InChIKey is CAOOQLJWYZEDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O/c13-8-1-3-9(4-2-8)16-12-6-5-10(17)7-11(12)14-15-16/h1-7,17H.
What are the key properties of 1-(4-chlorophenyl)benzotriazol-5-ol?
1-(4-chlorophenyl)benzotriazol-5-ol has a molecular weight of 245.67 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)benzotriazol-5-ol is sourced from PubChem (CID 69105798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).