(1S)-2-azido-1-(3,5-dimethylphenyl)ethanol

C10H13N3O — CID 83092772

IUPAC(1S)-2-azido-1-(3,5-dimethylphenyl)ethanol
SMILESCc1cc(C)cc([C@H](O)CN=[N+]=[N-])c1
InChIInChI=1S/C10H13N3O/c1-7-3-8(2)5-9(4-7)10(14)6-12-13-11/h3-5,10,14H,6H2,1-2H3/t10-/m1/s1
InChIKeySTTKODYMRWIJJT-SNVBAGLBSA-N
MW191.23 g/mol
LogP2.65
Rot. Bonds3

About (1S)-2-azido-1-(3,5-dimethylphenyl)ethanol

(1S)-2-azido-1-(3,5-dimethylphenyl)ethanol (PubChem CID 83092772) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is (1S)-2-azido-1-(3,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-azido-1-(3,5-dimethylphenyl)ethanol
PubChem CID83092772
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name(1S)-2-azido-1-(3,5-dimethylphenyl)ethanol
SMILESCc1cc(C)cc([C@H](O)CN=[N+]=[N-])c1
InChIInChI=1S/C10H13N3O/c1-7-3-8(2)5-9(4-7)10(14)6-12-13-11/h3-5,10,14H,6H2,1-2H3/t10-/m1/s1
InChIKeySTTKODYMRWIJJT-SNVBAGLBSA-N
XLogP2.65
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.65
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'}

Analyze (1S)-2-azido-1-(3,5-dimethylphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-2-azido-1-(2,4,6-trimethylphenyl)ethanol
CID 83092486
(1R)-2-azido-1-(2,4,6-trimethylphenyl)ethanol
CID 83093060
1-(3-amino-5-methylphenyl)-3-azidopropane-1,2-diol
CID 170825760
4-(2-azido-1-hydroxyethyl)phenol
CID 102442707
2-azido-1-(3-fluorophenyl)ethanol
CID 83093254
2-azido-1-[4-(2-methylpropyl)phenyl]ethanol
CID 80503327
(1S)-2-azido-1-(3-chlorophenyl)ethanol
CID 59761679
1-(3-amino-5-methylphenyl)butan-1-ol
CID 131048981
(1R)-2-azido-1-(4-phenylphenyl)ethanol
CID 83092866
(1R)-2-azido-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83093152
4-[(1R)-2-azido-1-hydroxyethyl]-2-(hydroxymethyl)phenol
CID 150755618
(1R)-2-azido-1-(3-chloro-4-fluorophenyl)ethanol
CID 83093429

Frequently Asked Questions

What is the IUPAC name of (1S)-2-azido-1-(3,5-dimethylphenyl)ethanol?
The IUPAC name of (1S)-2-azido-1-(3,5-dimethylphenyl)ethanol (CID 83092772) is (1S)-2-azido-1-(3,5-dimethylphenyl)ethanol.
What is the SMILES notation for (1S)-2-azido-1-(3,5-dimethylphenyl)ethanol?
The canonical SMILES for (1S)-2-azido-1-(3,5-dimethylphenyl)ethanol is Cc1cc(C)cc([C@H](O)CN=[N+]=[N-])c1.
What is the InChIKey of (1S)-2-azido-1-(3,5-dimethylphenyl)ethanol?
The InChIKey is STTKODYMRWIJJT-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7-3-8(2)5-9(4-7)10(14)6-12-13-11/h3-5,10,14H,6H2,1-2H3/t10-/m1/s1.
What are the key properties of (1S)-2-azido-1-(3,5-dimethylphenyl)ethanol?
(1S)-2-azido-1-(3,5-dimethylphenyl)ethanol has a molecular weight of 191.23 g/mol, XLogP of 2.65, 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-(3,5-dimethylphenyl)ethanol is sourced from PubChem (CID 83092772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).