(1S)-2-azido-1-(2,4,6-trimethylphenyl)ethanol

C11H15N3O — CID 83092486

IUPAC(1S)-2-azido-1-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c([C@H](O)CN=[N+]=[N-])c(C)c1
InChIInChI=1S/C11H15N3O/c1-7-4-8(2)11(9(3)5-7)10(15)6-13-14-12/h4-5,10,15H,6H2,1-3H3/t10-/m1/s1
InChIKeyNEMFLQFTFXGYHG-SNVBAGLBSA-N
MW205.26 g/mol
LogP2.96
Rot. Bonds3

About (1S)-2-azido-1-(2,4,6-trimethylphenyl)ethanol

(1S)-2-azido-1-(2,4,6-trimethylphenyl)ethanol (PubChem CID 83092486) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is (1S)-2-azido-1-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-azido-1-(2,4,6-trimethylphenyl)ethanol
PubChem CID83092486
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name(1S)-2-azido-1-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c([C@H](O)CN=[N+]=[N-])c(C)c1
InChIInChI=1S/C11H15N3O/c1-7-4-8(2)11(9(3)5-7)10(15)6-13-14-12/h4-5,10,15H,6H2,1-3H3/t10-/m1/s1
InChIKeyNEMFLQFTFXGYHG-SNVBAGLBSA-N
XLogP2.96
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.96
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

(1R)-2-azido-1-(2,4,6-trimethylphenyl)ethanol
CID 83093060
(1S)-2-azido-1-(3,5-dimethylphenyl)ethanol
CID 83092772
3-azido-1-(4-methoxy-2,6-dimethylphenyl)propane-1,2-diol
CID 170826366
(1R)-2-azido-1-(2,6-dimethoxyphenyl)ethanol
CID 165492310
1-(3-amino-5-methylphenyl)-3-azidopropane-1,2-diol
CID 170825760
2-(azidomethyl)-1,3,5-trimethylbenzene
CID 10631091
2-(hydroxyamino)-1-(2,4,6-trimethylphenyl)ethanol
CID 82112148
2-azido-1-(5-methylthiophen-2-yl)ethanol
CID 83093251
2-(propylamino)-1-(2,4,6-trimethylphenyl)ethanol
CID 62774498
3-methyl-1-(2,4,6-trimethylphenyl)but-3-en-1-ol
CID 115816847
4-(2-azido-1-hydroxyethyl)phenol
CID 102442707
1-(2,4,6-trimethylphenyl)heptan-1-ol
CID 65148082

Frequently Asked Questions

What is the IUPAC name of (1S)-2-azido-1-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of (1S)-2-azido-1-(2,4,6-trimethylphenyl)ethanol (CID 83092486) is (1S)-2-azido-1-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for (1S)-2-azido-1-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for (1S)-2-azido-1-(2,4,6-trimethylphenyl)ethanol is Cc1cc(C)c([C@H](O)CN=[N+]=[N-])c(C)c1.
What is the InChIKey of (1S)-2-azido-1-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is NEMFLQFTFXGYHG-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7-4-8(2)11(9(3)5-7)10(15)6-13-14-12/h4-5,10,15H,6H2,1-3H3/t10-/m1/s1.
What are the key properties of (1S)-2-azido-1-(2,4,6-trimethylphenyl)ethanol?
(1S)-2-azido-1-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 205.26 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-azido-1-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 83092486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).