2-azido-2,2-diphenylethanol

C14H13N3O — CID 150907693

IUPAC2-azido-2,2-diphenylethanol
SMILES[N-]=[N+]=NC(CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13N3O/c15-17-16-14(11-18,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,18H,11H2
InChIKeyLBIDCOOJEHTFOQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.23
Rot. Bonds4

About 2-azido-2,2-diphenylethanol

2-azido-2,2-diphenylethanol (PubChem CID 150907693) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-azido-2,2-diphenylethanol.

Molecular Properties

Compound Name2-azido-2,2-diphenylethanol
PubChem CID150907693
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-azido-2,2-diphenylethanol
SMILES[N-]=[N+]=NC(CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13N3O/c15-17-16-14(11-18,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,18H,11H2
InChIKeyLBIDCOOJEHTFOQ-UHFFFAOYSA-N
XLogP3.23
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.23
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 2-azido-2,2-diphenylethanol?
The IUPAC name of 2-azido-2,2-diphenylethanol (CID 150907693) is 2-azido-2,2-diphenylethanol.
What is the SMILES notation for 2-azido-2,2-diphenylethanol?
The canonical SMILES for 2-azido-2,2-diphenylethanol is [N-]=[N+]=NC(CO)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-azido-2,2-diphenylethanol?
The InChIKey is LBIDCOOJEHTFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c15-17-16-14(11-18,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,18H,11H2.
What are the key properties of 2-azido-2,2-diphenylethanol?
2-azido-2,2-diphenylethanol has a molecular weight of 239.28 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-2,2-diphenylethanol is sourced from PubChem (CID 150907693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).