2-[4-(azidomethoxy)phenyl]ethanol

C9H11N3O2 — CID 150054112

IUPAC2-[4-(azidomethoxy)phenyl]ethanol
SMILES[N-]=[N+]=NCOc1ccc(CCO)cc1
InChIInChI=1S/C9H11N3O2/c10-12-11-7-14-9-3-1-8(2-4-9)5-6-13/h1-4,13H,5-7H2
InChIKeyDLXQHFNRVUABGI-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.87
Rot. Bonds5

About 2-[4-(azidomethoxy)phenyl]ethanol

2-[4-(azidomethoxy)phenyl]ethanol (PubChem CID 150054112) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-[4-(azidomethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(azidomethoxy)phenyl]ethanol
PubChem CID150054112
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-[4-(azidomethoxy)phenyl]ethanol
SMILES[N-]=[N+]=NCOc1ccc(CCO)cc1
InChIInChI=1S/C9H11N3O2/c10-12-11-7-14-9-3-1-8(2-4-9)5-6-13/h1-4,13H,5-7H2
InChIKeyDLXQHFNRVUABGI-UHFFFAOYSA-N
XLogP1.87
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(azidomethoxy)phenyl]ethanol?
The IUPAC name of 2-[4-(azidomethoxy)phenyl]ethanol (CID 150054112) is 2-[4-(azidomethoxy)phenyl]ethanol.
What is the SMILES notation for 2-[4-(azidomethoxy)phenyl]ethanol?
The canonical SMILES for 2-[4-(azidomethoxy)phenyl]ethanol is [N-]=[N+]=NCOc1ccc(CCO)cc1.
What is the InChIKey of 2-[4-(azidomethoxy)phenyl]ethanol?
The InChIKey is DLXQHFNRVUABGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c10-12-11-7-14-9-3-1-8(2-4-9)5-6-13/h1-4,13H,5-7H2.
What are the key properties of 2-[4-(azidomethoxy)phenyl]ethanol?
2-[4-(azidomethoxy)phenyl]ethanol has a molecular weight of 193.21 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azidomethoxy)phenyl]ethanol is sourced from PubChem (CID 150054112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).