1-azido-2-phenylpentan-2-ol

C11H15N3O — CID 141488239

IUPAC1-azido-2-phenylpentan-2-ol
SMILESCCCC(O)(CN=[N+]=[N-])c1ccccc1
InChIInChI=1S/C11H15N3O/c1-2-8-11(15,9-13-14-12)10-6-4-3-5-7-10/h3-7,15H,2,8-9H2,1H3
InChIKeyKPDTWEXAAALVAL-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.98
Rot. Bonds5

About 1-azido-2-phenylpentan-2-ol

1-azido-2-phenylpentan-2-ol (PubChem CID 141488239) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-azido-2-phenylpentan-2-ol.

Molecular Properties

Compound Name1-azido-2-phenylpentan-2-ol
PubChem CID141488239
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-azido-2-phenylpentan-2-ol
SMILESCCCC(O)(CN=[N+]=[N-])c1ccccc1
InChIInChI=1S/C11H15N3O/c1-2-8-11(15,9-13-14-12)10-6-4-3-5-7-10/h3-7,15H,2,8-9H2,1H3
InChIKeyKPDTWEXAAALVAL-UHFFFAOYSA-N
XLogP2.98
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-azido-2-phenylpentan-2-ol?
The IUPAC name of 1-azido-2-phenylpentan-2-ol (CID 141488239) is 1-azido-2-phenylpentan-2-ol.
What is the SMILES notation for 1-azido-2-phenylpentan-2-ol?
The canonical SMILES for 1-azido-2-phenylpentan-2-ol is CCCC(O)(CN=[N+]=[N-])c1ccccc1.
What is the InChIKey of 1-azido-2-phenylpentan-2-ol?
The InChIKey is KPDTWEXAAALVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-8-11(15,9-13-14-12)10-6-4-3-5-7-10/h3-7,15H,2,8-9H2,1H3.
What are the key properties of 1-azido-2-phenylpentan-2-ol?
1-azido-2-phenylpentan-2-ol has a molecular weight of 205.26 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-phenylpentan-2-ol is sourced from PubChem (CID 141488239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).