[(1R,2R)-3-azido-1-(methoxymethoxy)-1-phenylpropan-2-yl]benzene

C17H19N3O2 — CID 57393337

IUPAC[(1R,2R)-3-azido-1-(methoxymethoxy)-1-phenylpropan-2-yl]benzene
SMILESCOCO[C@@H](c1ccccc1)[C@@H](CN=[N+]=[N-])c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-21-13-22-17(15-10-6-3-7-11-15)16(12-19-20-18)14-8-4-2-5-9-14/h2-11,16-17H,12-13H2,1H3/t16-,17-/m0/s1
InChIKeyUQJXLLYGPUFSRM-IRXDYDNUSA-N
MW297.36 g/mol
LogP4.44
Rot. Bonds8

About [(1R,2R)-3-azido-1-(methoxymethoxy)-1-phenylpropan-2-yl]benzene

[(1R,2R)-3-azido-1-(methoxymethoxy)-1-phenylpropan-2-yl]benzene (PubChem CID 57393337) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is [(1R,2R)-3-azido-1-(methoxymethoxy)-1-phenylpropan-2-yl]benzene.

Molecular Properties

Compound Name[(1R,2R)-3-azido-1-(methoxymethoxy)-1-phenylpropan-2-yl]benzene
PubChem CID57393337
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name[(1R,2R)-3-azido-1-(methoxymethoxy)-1-phenylpropan-2-yl]benzene
SMILESCOCO[C@@H](c1ccccc1)[C@@H](CN=[N+]=[N-])c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-21-13-22-17(15-10-6-3-7-11-15)16(12-19-20-18)14-8-4-2-5-9-14/h2-11,16-17H,12-13H2,1H3/t16-,17-/m0/s1
InChIKeyUQJXLLYGPUFSRM-IRXDYDNUSA-N
XLogP4.44
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'het-C-het_not_in_ring', '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)-3-azido-1-(methoxymethoxy)-1-phenylpropan-2-yl]benzene?
The IUPAC name of [(1R,2R)-3-azido-1-(methoxymethoxy)-1-phenylpropan-2-yl]benzene (CID 57393337) is [(1R,2R)-3-azido-1-(methoxymethoxy)-1-phenylpropan-2-yl]benzene.
What is the SMILES notation for [(1R,2R)-3-azido-1-(methoxymethoxy)-1-phenylpropan-2-yl]benzene?
The canonical SMILES for [(1R,2R)-3-azido-1-(methoxymethoxy)-1-phenylpropan-2-yl]benzene is COCO[C@@H](c1ccccc1)[C@@H](CN=[N+]=[N-])c1ccccc1.
What is the InChIKey of [(1R,2R)-3-azido-1-(methoxymethoxy)-1-phenylpropan-2-yl]benzene?
The InChIKey is UQJXLLYGPUFSRM-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-21-13-22-17(15-10-6-3-7-11-15)16(12-19-20-18)14-8-4-2-5-9-14/h2-11,16-17H,12-13H2,1H3/t16-,17-/m0/s1.
What are the key properties of [(1R,2R)-3-azido-1-(methoxymethoxy)-1-phenylpropan-2-yl]benzene?
[(1R,2R)-3-azido-1-(methoxymethoxy)-1-phenylpropan-2-yl]benzene has a molecular weight of 297.36 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-3-azido-1-(methoxymethoxy)-1-phenylpropan-2-yl]benzene is sourced from PubChem (CID 57393337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).