4-[(1R)-2-azido-1-hydroxyethyl]-2-(hydroxymethyl)phenol

C9H11N3O3 — CID 150755618

IUPAC4-[(1R)-2-azido-1-hydroxyethyl]-2-(hydroxymethyl)phenol
SMILES[N-]=[N+]=NC[C@H](O)c1ccc(O)c(CO)c1
InChIInChI=1S/C9H11N3O3/c10-12-11-4-9(15)6-1-2-8(14)7(3-6)5-13/h1-3,9,13-15H,4-5H2/t9-/m0/s1
InChIKeyJWTUVGVLQPOMMQ-VIFPVBQESA-N
MW209.20 g/mol
LogP1.23
Rot. Bonds4

About 4-[(1R)-2-azido-1-hydroxyethyl]-2-(hydroxymethyl)phenol

4-[(1R)-2-azido-1-hydroxyethyl]-2-(hydroxymethyl)phenol (PubChem CID 150755618) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 4-[(1R)-2-azido-1-hydroxyethyl]-2-(hydroxymethyl)phenol.

Molecular Properties

Compound Name4-[(1R)-2-azido-1-hydroxyethyl]-2-(hydroxymethyl)phenol
PubChem CID150755618
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name4-[(1R)-2-azido-1-hydroxyethyl]-2-(hydroxymethyl)phenol
SMILES[N-]=[N+]=NC[C@H](O)c1ccc(O)c(CO)c1
InChIInChI=1S/C9H11N3O3/c10-12-11-4-9(15)6-1-2-8(14)7(3-6)5-13/h1-3,9,13-15H,4-5H2/t9-/m0/s1
InChIKeyJWTUVGVLQPOMMQ-VIFPVBQESA-N
XLogP1.23
TPSA109.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.23
H-Bond Donors ≤ 53
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

4-(2-azido-1-hydroxyethyl)phenol
CID 102442707
(1S)-2-azido-1-(3-chlorophenyl)ethanol
CID 59761679
(1R)-2-azido-1-(3-chloro-4-fluorophenyl)ethanol
CID 83093429
2-azido-1-(3-fluorophenyl)ethanol
CID 83093254
2-azido-1-(9H-carbazol-2-yl)ethanol
CID 3878794
(1R)-2-azido-1-(4-phenylphenyl)ethanol
CID 83092866
(1S)-2-azido-1-(3,5-dimethylphenyl)ethanol
CID 83092772
(1R)-2-azido-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83093152
2-azido-1-(3,4-dipropoxyphenyl)ethanol
CID 83093722
4-[1-hydroxy-2-[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]sulfanylethyl]-2-methylphenol
CID 58173642
2-azido-1-[3-(trifluoromethyl)phenyl]ethanol
CID 83092965
2-azido-1-[4-(2-methylpropyl)phenyl]ethanol
CID 80503327

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2-azido-1-hydroxyethyl]-2-(hydroxymethyl)phenol?
The IUPAC name of 4-[(1R)-2-azido-1-hydroxyethyl]-2-(hydroxymethyl)phenol (CID 150755618) is 4-[(1R)-2-azido-1-hydroxyethyl]-2-(hydroxymethyl)phenol.
What is the SMILES notation for 4-[(1R)-2-azido-1-hydroxyethyl]-2-(hydroxymethyl)phenol?
The canonical SMILES for 4-[(1R)-2-azido-1-hydroxyethyl]-2-(hydroxymethyl)phenol is [N-]=[N+]=NC[C@H](O)c1ccc(O)c(CO)c1.
What is the InChIKey of 4-[(1R)-2-azido-1-hydroxyethyl]-2-(hydroxymethyl)phenol?
The InChIKey is JWTUVGVLQPOMMQ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H11N3O3/c10-12-11-4-9(15)6-1-2-8(14)7(3-6)5-13/h1-3,9,13-15H,4-5H2/t9-/m0/s1.
What are the key properties of 4-[(1R)-2-azido-1-hydroxyethyl]-2-(hydroxymethyl)phenol?
4-[(1R)-2-azido-1-hydroxyethyl]-2-(hydroxymethyl)phenol has a molecular weight of 209.20 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2-azido-1-hydroxyethyl]-2-(hydroxymethyl)phenol is sourced from PubChem (CID 150755618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).