2-(2-hydroxyethoxy)ethyl 4-azidobenzoate

C11H13N3O4 — CID 171737111

IUPAC2-(2-hydroxyethoxy)ethyl 4-azidobenzoate
SMILES[N-]=[N+]=Nc1ccc(C(=O)OCCOCCO)cc1
InChIInChI=1S/C11H13N3O4/c12-14-13-10-3-1-9(2-4-10)11(16)18-8-7-17-6-5-15/h1-4,15H,5-8H2
InChIKeyMDHIPDBNWBMVQJ-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.79
Rot. Bonds7

About 2-(2-hydroxyethoxy)ethyl 4-azidobenzoate

2-(2-hydroxyethoxy)ethyl 4-azidobenzoate (PubChem CID 171737111) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl 4-azidobenzoate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl 4-azidobenzoate
PubChem CID171737111
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-(2-hydroxyethoxy)ethyl 4-azidobenzoate
SMILES[N-]=[N+]=Nc1ccc(C(=O)OCCOCCO)cc1
InChIInChI=1S/C11H13N3O4/c12-14-13-10-3-1-9(2-4-10)11(16)18-8-7-17-6-5-15/h1-4,15H,5-8H2
InChIKeyMDHIPDBNWBMVQJ-UHFFFAOYSA-N
XLogP1.79
TPSA104.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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

pentyl 4-azidobenzoate
CID 141242648
2-(4-azidobenzoyl)oxyethyl 4-[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]benzoate
CID 171737097
decyl 4-azidobenzoate
CID 141242646
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-(dimethylamino)benzoate
CID 174814731
(2-hydroxy-3-methoxypropyl) 4-azidobenzoate
CID 168800402
4-O-(2-butoxyethyl) 1-O-(2-hydroxyethyl) benzene-1,4-dicarboxylate
CID 175437580
2-[2-[2-(4-aminobenzoyl)oxyethoxy]ethoxy]ethyl 4-aminobenzoate
CID 22467709
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-azidobenzamide
CID 14697250
(4-ethenylphenyl)methyl 4-azidobenzoate
CID 138593704
2-[2-[2-[2-(4-acetylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 4-acetylbenzoate
CID 157029099
2-hydroxyethyl 4-(2-hydroxyethoxymethyl)benzoate
CID 69170087

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl 4-azidobenzoate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl 4-azidobenzoate (CID 171737111) is 2-(2-hydroxyethoxy)ethyl 4-azidobenzoate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl 4-azidobenzoate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl 4-azidobenzoate is [N-]=[N+]=Nc1ccc(C(=O)OCCOCCO)cc1.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl 4-azidobenzoate?
The InChIKey is MDHIPDBNWBMVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c12-14-13-10-3-1-9(2-4-10)11(16)18-8-7-17-6-5-15/h1-4,15H,5-8H2.
What are the key properties of 2-(2-hydroxyethoxy)ethyl 4-azidobenzoate?
2-(2-hydroxyethoxy)ethyl 4-azidobenzoate has a molecular weight of 251.24 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl 4-azidobenzoate is sourced from PubChem (CID 171737111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).