(1R)-2-azido-1-(2,6-dimethoxyphenyl)ethanol

C10H13N3O3 — CID 165492310

IUPAC(1R)-2-azido-1-(2,6-dimethoxyphenyl)ethanol
SMILESCOc1cccc(OC)c1[C@@H](O)CN=[N+]=[N-]
InChIInChI=1S/C10H13N3O3/c1-15-8-4-3-5-9(16-2)10(8)7(14)6-12-13-11/h3-5,7,14H,6H2,1-2H3/t7-/m0/s1
InChIKeyHWGSJJWNUQNTAC-ZETCQYMHSA-N
MW223.23 g/mol
LogP2.05
Rot. Bonds5

About (1R)-2-azido-1-(2,6-dimethoxyphenyl)ethanol

(1R)-2-azido-1-(2,6-dimethoxyphenyl)ethanol (PubChem CID 165492310) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is (1R)-2-azido-1-(2,6-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-azido-1-(2,6-dimethoxyphenyl)ethanol
PubChem CID165492310
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name(1R)-2-azido-1-(2,6-dimethoxyphenyl)ethanol
SMILESCOc1cccc(OC)c1[C@@H](O)CN=[N+]=[N-]
InChIInChI=1S/C10H13N3O3/c1-15-8-4-3-5-9(16-2)10(8)7(14)6-12-13-11/h3-5,7,14H,6H2,1-2H3/t7-/m0/s1
InChIKeyHWGSJJWNUQNTAC-ZETCQYMHSA-N
XLogP2.05
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-azido-1-(2-fluoro-3-methoxyphenyl)propane-1,2-diol
CID 170827247
(1R)-2-azido-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83093152
1-(azidomethyl)-2-methoxybenzene
CID 11263685
1-(2,6-dimethoxyphenyl)prop-2-en-1-ol
CID 115814673
(1S)-2-azido-1-(2,4,6-trimethylphenyl)ethanol
CID 83092486
(1R)-2-azido-1-(2,4,6-trimethylphenyl)ethanol
CID 83093060
(2S)-2-azido-2-(2-methoxy-6-methylphenyl)ethanol
CID 638643
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanol
CID 63018829
3-azido-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol
CID 170827281
3-azido-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 102233999
1-(2-azidoethyl)-2,3-dimethoxybenzene
CID 150478771
2-azido-1-(3-fluorophenyl)ethanol
CID 83093254

Frequently Asked Questions

What is the IUPAC name of (1R)-2-azido-1-(2,6-dimethoxyphenyl)ethanol?
The IUPAC name of (1R)-2-azido-1-(2,6-dimethoxyphenyl)ethanol (CID 165492310) is (1R)-2-azido-1-(2,6-dimethoxyphenyl)ethanol.
What is the SMILES notation for (1R)-2-azido-1-(2,6-dimethoxyphenyl)ethanol?
The canonical SMILES for (1R)-2-azido-1-(2,6-dimethoxyphenyl)ethanol is COc1cccc(OC)c1[C@@H](O)CN=[N+]=[N-].
What is the InChIKey of (1R)-2-azido-1-(2,6-dimethoxyphenyl)ethanol?
The InChIKey is HWGSJJWNUQNTAC-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-15-8-4-3-5-9(16-2)10(8)7(14)6-12-13-11/h3-5,7,14H,6H2,1-2H3/t7-/m0/s1.
What are the key properties of (1R)-2-azido-1-(2,6-dimethoxyphenyl)ethanol?
(1R)-2-azido-1-(2,6-dimethoxyphenyl)ethanol has a molecular weight of 223.23 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-azido-1-(2,6-dimethoxyphenyl)ethanol is sourced from PubChem (CID 165492310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).