2-[1-(benzotriazol-2-yl)pentan-2-yl]phenol

C17H19N3O — CID 175150688

IUPAC2-[1-(benzotriazol-2-yl)pentan-2-yl]phenol
SMILESCCCC(Cn1nc2ccccc2n1)c1ccccc1O
InChIInChI=1S/C17H19N3O/c1-2-7-13(14-8-3-6-11-17(14)21)12-20-18-15-9-4-5-10-16(15)19-20/h3-6,8-11,13,21H,2,7,12H2,1H3
InChIKeyXHMYTPZGLZDDDK-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.72
Rot. Bonds5

About 2-[1-(benzotriazol-2-yl)pentan-2-yl]phenol

2-[1-(benzotriazol-2-yl)pentan-2-yl]phenol (PubChem CID 175150688) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[1-(benzotriazol-2-yl)pentan-2-yl]phenol.

Molecular Properties

Compound Name2-[1-(benzotriazol-2-yl)pentan-2-yl]phenol
PubChem CID175150688
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-[1-(benzotriazol-2-yl)pentan-2-yl]phenol
SMILESCCCC(Cn1nc2ccccc2n1)c1ccccc1O
InChIInChI=1S/C17H19N3O/c1-2-7-13(14-8-3-6-11-17(14)21)12-20-18-15-9-4-5-10-16(15)19-20/h3-6,8-11,13,21H,2,7,12H2,1H3
InChIKeyXHMYTPZGLZDDDK-UHFFFAOYSA-N
XLogP3.72
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzotriazol-2-yl)pentan-2-yl]phenol?
The IUPAC name of 2-[1-(benzotriazol-2-yl)pentan-2-yl]phenol (CID 175150688) is 2-[1-(benzotriazol-2-yl)pentan-2-yl]phenol.
What is the SMILES notation for 2-[1-(benzotriazol-2-yl)pentan-2-yl]phenol?
The canonical SMILES for 2-[1-(benzotriazol-2-yl)pentan-2-yl]phenol is CCCC(Cn1nc2ccccc2n1)c1ccccc1O.
What is the InChIKey of 2-[1-(benzotriazol-2-yl)pentan-2-yl]phenol?
The InChIKey is XHMYTPZGLZDDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-7-13(14-8-3-6-11-17(14)21)12-20-18-15-9-4-5-10-16(15)19-20/h3-6,8-11,13,21H,2,7,12H2,1H3.
What are the key properties of 2-[1-(benzotriazol-2-yl)pentan-2-yl]phenol?
2-[1-(benzotriazol-2-yl)pentan-2-yl]phenol has a molecular weight of 281.36 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzotriazol-2-yl)pentan-2-yl]phenol is sourced from PubChem (CID 175150688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).