(2S)-2-azido-2-(2-methoxy-6-methylphenyl)ethanol

C10H13N3O2 — CID 638643

IUPAC(2S)-2-azido-2-(2-methoxy-6-methylphenyl)ethanol
SMILESCOc1cccc(C)c1[C@@H](CO)N=[N+]=[N-]
InChIInChI=1S/C10H13N3O2/c1-7-4-3-5-9(15-2)10(7)8(6-14)12-13-11/h3-5,8,14H,6H2,1-2H3/t8-/m1/s1
InChIKeyXJZIYDDRFUNLRI-MRVPVSSYSA-N
MW207.23 g/mol
LogP2.35
Rot. Bonds4

About (2S)-2-azido-2-(2-methoxy-6-methylphenyl)ethanol

(2S)-2-azido-2-(2-methoxy-6-methylphenyl)ethanol (PubChem CID 638643) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is (2S)-2-azido-2-(2-methoxy-6-methylphenyl)ethanol.

Molecular Properties

Compound Name(2S)-2-azido-2-(2-methoxy-6-methylphenyl)ethanol
PubChem CID638643
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name(2S)-2-azido-2-(2-methoxy-6-methylphenyl)ethanol
SMILESCOc1cccc(C)c1[C@@H](CO)N=[N+]=[N-]
InChIInChI=1S/C10H13N3O2/c1-7-4-3-5-9(15-2)10(7)8(6-14)12-13-11/h3-5,8,14H,6H2,1-2H3/t8-/m1/s1
InChIKeyXJZIYDDRFUNLRI-MRVPVSSYSA-N
XLogP2.35
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (2S)-2-azido-2-(2-methoxy-6-methylphenyl)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

(2S)-2-amino-2-(2-methoxy-6-methylphenyl)ethanol
CID 638516
(1R)-2-azido-1-(2,6-dimethoxyphenyl)ethanol
CID 165492310
1-(2-methoxy-6-methylphenyl)ethane-1,2-diamine
CID 55283458
2-(2,6-dimethoxyphenyl)-2-trimethylsilylethanol
CID 175454438
5-(2-methoxy-6-methylphenyl)heptan-2-amine
CID 83923910
2-[2-(2-methoxy-6-methylphenyl)butyl]propane-1,3-diamine
CID 83923858
1-chloro-1-(2-methoxy-6-methylphenyl)propan-2-one
CID 130839901
2-(2-methoxy-6-methylsulfanylphenyl)propan-1-ol
CID 117303266
2-[2-(fluoromethyl)-6-methoxyphenyl]propan-1-ol
CID 117287951
2-(1-amino-2-hydroxyethyl)-3-methoxyphenol
CID 77129655
tris(1-methoxy-2-methylbenzene);propane
CID 158759517
2-[chloro(isocyanato)methyl]-1-methoxy-3-methylbenzene
CID 88623400

Frequently Asked Questions

What is the IUPAC name of (2S)-2-azido-2-(2-methoxy-6-methylphenyl)ethanol?
The IUPAC name of (2S)-2-azido-2-(2-methoxy-6-methylphenyl)ethanol (CID 638643) is (2S)-2-azido-2-(2-methoxy-6-methylphenyl)ethanol.
What is the SMILES notation for (2S)-2-azido-2-(2-methoxy-6-methylphenyl)ethanol?
The canonical SMILES for (2S)-2-azido-2-(2-methoxy-6-methylphenyl)ethanol is COc1cccc(C)c1[C@@H](CO)N=[N+]=[N-].
What is the InChIKey of (2S)-2-azido-2-(2-methoxy-6-methylphenyl)ethanol?
The InChIKey is XJZIYDDRFUNLRI-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7-4-3-5-9(15-2)10(7)8(6-14)12-13-11/h3-5,8,14H,6H2,1-2H3/t8-/m1/s1.
What are the key properties of (2S)-2-azido-2-(2-methoxy-6-methylphenyl)ethanol?
(2S)-2-azido-2-(2-methoxy-6-methylphenyl)ethanol has a molecular weight of 207.23 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-azido-2-(2-methoxy-6-methylphenyl)ethanol is sourced from PubChem (CID 638643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).