3-azido-1-[4-(2-hydroxyethyl)phenyl]propane-1,2-diol

C11H15N3O3 — CID 170825964

IUPAC3-azido-1-[4-(2-hydroxyethyl)phenyl]propane-1,2-diol
SMILES[N-]=[N+]=NCC(O)C(O)c1ccc(CCO)cc1
InChIInChI=1S/C11H15N3O3/c12-14-13-7-10(16)11(17)9-3-1-8(2-4-9)5-6-15/h1-4,10-11,15-17H,5-7H2
InChIKeyWAMDLTSRLLNGTN-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.93
Rot. Bonds6

About 3-azido-1-[4-(2-hydroxyethyl)phenyl]propane-1,2-diol

3-azido-1-[4-(2-hydroxyethyl)phenyl]propane-1,2-diol (PubChem CID 170825964) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-azido-1-[4-(2-hydroxyethyl)phenyl]propane-1,2-diol.

Molecular Properties

Compound Name3-azido-1-[4-(2-hydroxyethyl)phenyl]propane-1,2-diol
PubChem CID170825964
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-azido-1-[4-(2-hydroxyethyl)phenyl]propane-1,2-diol
SMILES[N-]=[N+]=NCC(O)C(O)c1ccc(CCO)cc1
InChIInChI=1S/C11H15N3O3/c12-14-13-7-10(16)11(17)9-3-1-8(2-4-9)5-6-15/h1-4,10-11,15-17H,5-7H2
InChIKeyWAMDLTSRLLNGTN-UHFFFAOYSA-N
XLogP0.93
TPSA109.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.93
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'}

Analyze 3-azido-1-[4-(2-hydroxyethyl)phenyl]propane-1,2-diol 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

2-[4-(3-azido-1,2-dihydroxypropyl)phenyl]acetic acid
CID 170826324
3-azido-1-naphthalen-2-ylpropane-1,2-diol
CID 170826208
3,4-dihydroxy-4-[4-(2-hydroxyethyl)phenyl]butanoic acid
CID 171877617
1-[4-(3-azido-1,2-dihydroxypropyl)phenyl]cyclopropane-1-carbonitrile
CID 170826798
3-azido-1-[3-fluoro-5-(hydroxymethyl)phenyl]propane-1,2-diol
CID 170825942
3-azido-1-(4-hexoxyphenyl)propane-1,2-diol
CID 170827229
3-azido-1-(2-fluoropyrimidin-5-yl)propane-1,2-diol
CID 170825462
3-azido-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol
CID 170826831
3-azido-1-[4-chloro-3-(chloromethyl)phenyl]propane-1,2-diol
CID 170825863
5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carbonitrile
CID 170825675
5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carboxylic acid
CID 170826111
1-(3-amino-5-methylphenyl)-3-azidopropane-1,2-diol
CID 170825760

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-[4-(2-hydroxyethyl)phenyl]propane-1,2-diol?
The IUPAC name of 3-azido-1-[4-(2-hydroxyethyl)phenyl]propane-1,2-diol (CID 170825964) is 3-azido-1-[4-(2-hydroxyethyl)phenyl]propane-1,2-diol.
What is the SMILES notation for 3-azido-1-[4-(2-hydroxyethyl)phenyl]propane-1,2-diol?
The canonical SMILES for 3-azido-1-[4-(2-hydroxyethyl)phenyl]propane-1,2-diol is [N-]=[N+]=NCC(O)C(O)c1ccc(CCO)cc1.
What is the InChIKey of 3-azido-1-[4-(2-hydroxyethyl)phenyl]propane-1,2-diol?
The InChIKey is WAMDLTSRLLNGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-14-13-7-10(16)11(17)9-3-1-8(2-4-9)5-6-15/h1-4,10-11,15-17H,5-7H2.
What are the key properties of 3-azido-1-[4-(2-hydroxyethyl)phenyl]propane-1,2-diol?
3-azido-1-[4-(2-hydroxyethyl)phenyl]propane-1,2-diol has a molecular weight of 237.26 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-[4-(2-hydroxyethyl)phenyl]propane-1,2-diol is sourced from PubChem (CID 170825964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).