2-azido-1-(3-hydroxy-2-methoxyphenyl)ethanone

C9H9N3O3 — CID 54349012

IUPAC2-azido-1-(3-hydroxy-2-methoxyphenyl)ethanone
SMILESCOc1c(O)cccc1C(=O)CN=[N+]=[N-]
InChIInChI=1S/C9H9N3O3/c1-15-9-6(3-2-4-7(9)13)8(14)5-11-12-10/h2-4,13H,5H2,1H3
InChIKeyKAAYHGTZKPCSGG-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.89
Rot. Bonds4

About 2-azido-1-(3-hydroxy-2-methoxyphenyl)ethanone

2-azido-1-(3-hydroxy-2-methoxyphenyl)ethanone (PubChem CID 54349012) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-azido-1-(3-hydroxy-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-azido-1-(3-hydroxy-2-methoxyphenyl)ethanone
PubChem CID54349012
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name2-azido-1-(3-hydroxy-2-methoxyphenyl)ethanone
SMILESCOc1c(O)cccc1C(=O)CN=[N+]=[N-]
InChIInChI=1S/C9H9N3O3/c1-15-9-6(3-2-4-7(9)13)8(14)5-11-12-10/h2-4,13H,5H2,1H3
InChIKeyKAAYHGTZKPCSGG-UHFFFAOYSA-N
XLogP1.89
TPSA95.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.89
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

2-azido-1-(2-hydroxyphenyl)ethanone
CID 4017474
1-(3-hydroxy-2-methoxyphenyl)pentane-1,4-dione
CID 155288895
2-azido-1-(1-hydroxynaphthalen-2-yl)ethanone
CID 53416479
2-azido-N-(2,3-dimethoxyphenyl)acetamide
CID 98128021
2-azido-1-phenylethanone;ethane
CID 90958641
amino 9-(3-hydroxy-2-methoxyphenyl)-9-oxononanoate
CID 174840290
(4-methoxyphenyl) 2-azidoacetate
CID 154028305
2-azido-1-(5-chloro-2-methylphenyl)ethanone
CID 98883096
phenyl 3-hydroxy-2-methoxybenzoate
CID 69024035
3-(2-chloroacetyl)-2-methoxy-N-methylbenzamide
CID 166792418
4-(2-azidoacetyl)benzoic acid
CID 143075130
1-(3-fluoro-2-methoxyphenyl)propan-1-one
CID 69108587

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-(3-hydroxy-2-methoxyphenyl)ethanone?
The IUPAC name of 2-azido-1-(3-hydroxy-2-methoxyphenyl)ethanone (CID 54349012) is 2-azido-1-(3-hydroxy-2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-azido-1-(3-hydroxy-2-methoxyphenyl)ethanone?
The canonical SMILES for 2-azido-1-(3-hydroxy-2-methoxyphenyl)ethanone is COc1c(O)cccc1C(=O)CN=[N+]=[N-].
What is the InChIKey of 2-azido-1-(3-hydroxy-2-methoxyphenyl)ethanone?
The InChIKey is KAAYHGTZKPCSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-15-9-6(3-2-4-7(9)13)8(14)5-11-12-10/h2-4,13H,5H2,1H3.
What are the key properties of 2-azido-1-(3-hydroxy-2-methoxyphenyl)ethanone?
2-azido-1-(3-hydroxy-2-methoxyphenyl)ethanone has a molecular weight of 207.19 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-(3-hydroxy-2-methoxyphenyl)ethanone is sourced from PubChem (CID 54349012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).