3-(benzotriazol-1-yl)-1-phenylpropan-1-ol

C15H15N3O — CID 3525185

IUPAC3-(benzotriazol-1-yl)-1-phenylpropan-1-ol
SMILESOC(CCn1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C15H15N3O/c19-15(12-6-2-1-3-7-12)10-11-18-14-9-5-4-8-13(14)16-17-18/h1-9,15,19H,10-11H2
InChIKeyGHOLWXAUWWZXCD-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.56
Rot. Bonds4

About 3-(benzotriazol-1-yl)-1-phenylpropan-1-ol

3-(benzotriazol-1-yl)-1-phenylpropan-1-ol (PubChem CID 3525185) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-(benzotriazol-1-yl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(benzotriazol-1-yl)-1-phenylpropan-1-ol
PubChem CID3525185
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name3-(benzotriazol-1-yl)-1-phenylpropan-1-ol
SMILESOC(CCn1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C15H15N3O/c19-15(12-6-2-1-3-7-12)10-11-18-14-9-5-4-8-13(14)16-17-18/h1-9,15,19H,10-11H2
InChIKeyGHOLWXAUWWZXCD-UHFFFAOYSA-N
XLogP2.56
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzotriazol-1-yl)-1-phenylpropan-1-ol?
The IUPAC name of 3-(benzotriazol-1-yl)-1-phenylpropan-1-ol (CID 3525185) is 3-(benzotriazol-1-yl)-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(benzotriazol-1-yl)-1-phenylpropan-1-ol?
The canonical SMILES for 3-(benzotriazol-1-yl)-1-phenylpropan-1-ol is OC(CCn1nnc2ccccc21)c1ccccc1.
What is the InChIKey of 3-(benzotriazol-1-yl)-1-phenylpropan-1-ol?
The InChIKey is GHOLWXAUWWZXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c19-15(12-6-2-1-3-7-12)10-11-18-14-9-5-4-8-13(14)16-17-18/h1-9,15,19H,10-11H2.
What are the key properties of 3-(benzotriazol-1-yl)-1-phenylpropan-1-ol?
3-(benzotriazol-1-yl)-1-phenylpropan-1-ol has a molecular weight of 253.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzotriazol-1-yl)-1-phenylpropan-1-ol is sourced from PubChem (CID 3525185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).