(1R,2S)-1-azido-1-phenylpropan-2-ol

C9H11N3O — CID 11435262

IUPAC(1R,2S)-1-azido-1-phenylpropan-2-ol
SMILESC[C@H](O)[C@H](N=[N+]=[N-])c1ccccc1
InChIInChI=1S/C9H11N3O/c1-7(13)9(11-12-10)8-5-3-2-4-6-8/h2-7,9,13H,1H3/t7-,9-/m0/s1
InChIKeyITKAZHQBVWGVAV-CBAPKCEASA-N
MW177.21 g/mol
LogP2.42
Rot. Bonds3

About (1R,2S)-1-azido-1-phenylpropan-2-ol

(1R,2S)-1-azido-1-phenylpropan-2-ol (PubChem CID 11435262) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is (1R,2S)-1-azido-1-phenylpropan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-azido-1-phenylpropan-2-ol
PubChem CID11435262
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name(1R,2S)-1-azido-1-phenylpropan-2-ol
SMILESC[C@H](O)[C@H](N=[N+]=[N-])c1ccccc1
InChIInChI=1S/C9H11N3O/c1-7(13)9(11-12-10)8-5-3-2-4-6-8/h2-7,9,13H,1H3/t7-,9-/m0/s1
InChIKeyITKAZHQBVWGVAV-CBAPKCEASA-N
XLogP2.42
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 52.42
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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Related Compounds

2-Amino-2-phenylethanol
CID 92466
(R)-beta-aminophenethyl alcohol
CID 2724025
2-Amino-2-phenylethan-1-ol
CID 134797
3(S)-Amino-4-phenyl-butan-2(S)-OL
CID 13949633
(S,S)-3-Azido-3-phenyl-1,2-propanediol
CID 146643
(S)-2-Azido-1-phenylethanol
CID 147803
(R,R)-3-Azido-3-phenyl-1,2-propanediol
CID 154214
(R)-2-Azido-1-phenylethanol
CID 154446
2-Amino-2-(4-fluorophenyl)ethanol
CID 14853201
beta-Amino-2,4-difluoro-benzeneethanol
CID 14853269
2-Amino-2-phenylpropan-1-ol
CID 349733
2-Amino-2-phenylbutan-1-ol
CID 11194531

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-azido-1-phenylpropan-2-ol?
The IUPAC name of (1R,2S)-1-azido-1-phenylpropan-2-ol (CID 11435262) is (1R,2S)-1-azido-1-phenylpropan-2-ol.
What is the SMILES notation for (1R,2S)-1-azido-1-phenylpropan-2-ol?
The canonical SMILES for (1R,2S)-1-azido-1-phenylpropan-2-ol is C[C@H](O)[C@H](N=[N+]=[N-])c1ccccc1.
What is the InChIKey of (1R,2S)-1-azido-1-phenylpropan-2-ol?
The InChIKey is ITKAZHQBVWGVAV-CBAPKCEASA-N. The full InChI is InChI=1S/C9H11N3O/c1-7(13)9(11-12-10)8-5-3-2-4-6-8/h2-7,9,13H,1H3/t7-,9-/m0/s1.
What are the key properties of (1R,2S)-1-azido-1-phenylpropan-2-ol?
(1R,2S)-1-azido-1-phenylpropan-2-ol has a molecular weight of 177.21 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-azido-1-phenylpropan-2-ol is sourced from PubChem (CID 11435262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).