2-azido-1-phenyl-2,3-dihydroinden-1-ol

C15H13N3O — CID 135065833

IUPAC2-azido-1-phenyl-2,3-dihydroinden-1-ol
SMILES[N-]=[N+]=NC1Cc2ccccc2C1(O)c1ccccc1
InChIInChI=1S/C15H13N3O/c16-18-17-14-10-11-6-4-5-9-13(11)15(14,19)12-7-2-1-3-8-12/h1-9,14,19H,10H2
InChIKeyKFCKZFZZLLRBHV-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.16
Rot. Bonds2

About 2-azido-1-phenyl-2,3-dihydroinden-1-ol

2-azido-1-phenyl-2,3-dihydroinden-1-ol (PubChem CID 135065833) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-azido-1-phenyl-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name2-azido-1-phenyl-2,3-dihydroinden-1-ol
PubChem CID135065833
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-azido-1-phenyl-2,3-dihydroinden-1-ol
SMILES[N-]=[N+]=NC1Cc2ccccc2C1(O)c1ccccc1
InChIInChI=1S/C15H13N3O/c16-18-17-14-10-11-6-4-5-9-13(11)15(14,19)12-7-2-1-3-8-12/h1-9,14,19H,10H2
InChIKeyKFCKZFZZLLRBHV-UHFFFAOYSA-N
XLogP3.16
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.16
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-1-phenyl-2,3-dihydroinden-1-ol?
The IUPAC name of 2-azido-1-phenyl-2,3-dihydroinden-1-ol (CID 135065833) is 2-azido-1-phenyl-2,3-dihydroinden-1-ol.
What is the SMILES notation for 2-azido-1-phenyl-2,3-dihydroinden-1-ol?
The canonical SMILES for 2-azido-1-phenyl-2,3-dihydroinden-1-ol is [N-]=[N+]=NC1Cc2ccccc2C1(O)c1ccccc1.
What is the InChIKey of 2-azido-1-phenyl-2,3-dihydroinden-1-ol?
The InChIKey is KFCKZFZZLLRBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-18-17-14-10-11-6-4-5-9-13(11)15(14,19)12-7-2-1-3-8-12/h1-9,14,19H,10H2.
What are the key properties of 2-azido-1-phenyl-2,3-dihydroinden-1-ol?
2-azido-1-phenyl-2,3-dihydroinden-1-ol has a molecular weight of 251.29 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-phenyl-2,3-dihydroinden-1-ol is sourced from PubChem (CID 135065833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).