(1R,2R)-2-azido-4,7-dimethyl-6-phenyl-2,3-dihydro-1H-inden-1-ol

C17H17N3O — CID 102523610

IUPAC(1R,2R)-2-azido-4,7-dimethyl-6-phenyl-2,3-dihydro-1H-inden-1-ol
SMILESCc1cc(-c2ccccc2)c(C)c2c1C[C@@H](N=[N+]=[N-])[C@@H]2O
InChIInChI=1S/C17H17N3O/c1-10-8-14(12-6-4-3-5-7-12)11(2)16-13(10)9-15(17(16)21)19-20-18/h3-8,15,17,21H,9H2,1-2H3/t15-,17+/m1/s1
InChIKeyQXZLITSZFBJMAW-WBVHZDCISA-N
MW279.34 g/mol
LogP4.24
Rot. Bonds2

About (1R,2R)-2-azido-4,7-dimethyl-6-phenyl-2,3-dihydro-1H-inden-1-ol

(1R,2R)-2-azido-4,7-dimethyl-6-phenyl-2,3-dihydro-1H-inden-1-ol (PubChem CID 102523610) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is (1R,2R)-2-azido-4,7-dimethyl-6-phenyl-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-azido-4,7-dimethyl-6-phenyl-2,3-dihydro-1H-inden-1-ol
PubChem CID102523610
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name(1R,2R)-2-azido-4,7-dimethyl-6-phenyl-2,3-dihydro-1H-inden-1-ol
SMILESCc1cc(-c2ccccc2)c(C)c2c1C[C@@H](N=[N+]=[N-])[C@@H]2O
InChIInChI=1S/C17H17N3O/c1-10-8-14(12-6-4-3-5-7-12)11(2)16-13(10)9-15(17(16)21)19-20-18/h3-8,15,17,21H,9H2,1-2H3/t15-,17+/m1/s1
InChIKeyQXZLITSZFBJMAW-WBVHZDCISA-N
XLogP4.24
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.24
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 (1R,2R)-2-azido-4,7-dimethyl-6-phenyl-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1R,2R)-2-azido-4,7-dimethyl-6-phenyl-2,3-dihydro-1H-inden-1-ol (CID 102523610) is (1R,2R)-2-azido-4,7-dimethyl-6-phenyl-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1R,2R)-2-azido-4,7-dimethyl-6-phenyl-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1R,2R)-2-azido-4,7-dimethyl-6-phenyl-2,3-dihydro-1H-inden-1-ol is Cc1cc(-c2ccccc2)c(C)c2c1C[C@@H](N=[N+]=[N-])[C@@H]2O.
What is the InChIKey of (1R,2R)-2-azido-4,7-dimethyl-6-phenyl-2,3-dihydro-1H-inden-1-ol?
The InChIKey is QXZLITSZFBJMAW-WBVHZDCISA-N. The full InChI is InChI=1S/C17H17N3O/c1-10-8-14(12-6-4-3-5-7-12)11(2)16-13(10)9-15(17(16)21)19-20-18/h3-8,15,17,21H,9H2,1-2H3/t15-,17+/m1/s1.
What are the key properties of (1R,2R)-2-azido-4,7-dimethyl-6-phenyl-2,3-dihydro-1H-inden-1-ol?
(1R,2R)-2-azido-4,7-dimethyl-6-phenyl-2,3-dihydro-1H-inden-1-ol has a molecular weight of 279.34 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-azido-4,7-dimethyl-6-phenyl-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 102523610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).