3-azido-4-phenylnaphthalen-1-ol

C16H11N3O — CID 154962906

IUPAC3-azido-4-phenylnaphthalen-1-ol
SMILES[N-]=[N+]=Nc1cc(O)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C16H11N3O/c17-19-18-14-10-15(20)12-8-4-5-9-13(12)16(14)11-6-2-1-3-7-11/h1-10,20H
InChIKeyPWJWIHBMIRTYIB-UHFFFAOYSA-N
MW261.28 g/mol
LogP5.15
Rot. Bonds2

About 3-azido-4-phenylnaphthalen-1-ol

3-azido-4-phenylnaphthalen-1-ol (PubChem CID 154962906) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-azido-4-phenylnaphthalen-1-ol.

Molecular Properties

Compound Name3-azido-4-phenylnaphthalen-1-ol
PubChem CID154962906
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name3-azido-4-phenylnaphthalen-1-ol
SMILES[N-]=[N+]=Nc1cc(O)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C16H11N3O/c17-19-18-14-10-15(20)12-8-4-5-9-13(12)16(14)11-6-2-1-3-7-11/h1-10,20H
InChIKeyPWJWIHBMIRTYIB-UHFFFAOYSA-N
XLogP5.15
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.28
LogP ≤ 55.15
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 3-azido-4-phenylnaphthalen-1-ol?
The IUPAC name of 3-azido-4-phenylnaphthalen-1-ol (CID 154962906) is 3-azido-4-phenylnaphthalen-1-ol.
What is the SMILES notation for 3-azido-4-phenylnaphthalen-1-ol?
The canonical SMILES for 3-azido-4-phenylnaphthalen-1-ol is [N-]=[N+]=Nc1cc(O)c2ccccc2c1-c1ccccc1.
What is the InChIKey of 3-azido-4-phenylnaphthalen-1-ol?
The InChIKey is PWJWIHBMIRTYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c17-19-18-14-10-15(20)12-8-4-5-9-13(12)16(14)11-6-2-1-3-7-11/h1-10,20H.
What are the key properties of 3-azido-4-phenylnaphthalen-1-ol?
3-azido-4-phenylnaphthalen-1-ol has a molecular weight of 261.28 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-4-phenylnaphthalen-1-ol is sourced from PubChem (CID 154962906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).