2-(benzotriazol-1-yl)-1-phenylethanol

C14H13N3O — CID 3375746

IUPAC2-(benzotriazol-1-yl)-1-phenylethanol
SMILESOC(Cn1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C14H13N3O/c18-14(11-6-2-1-3-7-11)10-17-13-9-5-4-8-12(13)15-16-17/h1-9,14,18H,10H2
InChIKeyHPHYPQQQONNOLW-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.16
Rot. Bonds3

About 2-(benzotriazol-1-yl)-1-phenylethanol

2-(benzotriazol-1-yl)-1-phenylethanol (PubChem CID 3375746) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1-phenylethanol.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1-phenylethanol
PubChem CID3375746
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-(benzotriazol-1-yl)-1-phenylethanol
SMILESOC(Cn1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C14H13N3O/c18-14(11-6-2-1-3-7-11)10-17-13-9-5-4-8-12(13)15-16-17/h1-9,14,18H,10H2
InChIKeyHPHYPQQQONNOLW-UHFFFAOYSA-N
XLogP2.16
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.16
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-phenylethanol?
The IUPAC name of 2-(benzotriazol-1-yl)-1-phenylethanol (CID 3375746) is 2-(benzotriazol-1-yl)-1-phenylethanol.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1-phenylethanol?
The canonical SMILES for 2-(benzotriazol-1-yl)-1-phenylethanol is OC(Cn1nnc2ccccc21)c1ccccc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-1-phenylethanol?
The InChIKey is HPHYPQQQONNOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c18-14(11-6-2-1-3-7-11)10-17-13-9-5-4-8-12(13)15-16-17/h1-9,14,18H,10H2.
What are the key properties of 2-(benzotriazol-1-yl)-1-phenylethanol?
2-(benzotriazol-1-yl)-1-phenylethanol has a molecular weight of 239.28 g/mol, XLogP of 2.16, 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-phenylethanol is sourced from PubChem (CID 3375746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).