3-(2-aminophenoxy)propane-1,2-diol

C9H13NO3 — CID 3030862

IUPAC3-(2-aminophenoxy)propane-1,2-diol
SMILESNc1ccccc1OCC(O)CO
InChIInChI=1S/C9H13NO3/c10-8-3-1-2-4-9(8)13-6-7(12)5-11/h1-4,7,11-12H,5-6,10H2
InChIKeyHPYYCONYZSKTMH-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.00
Rot. Bonds4

About 3-(2-aminophenoxy)propane-1,2-diol

3-(2-aminophenoxy)propane-1,2-diol (PubChem CID 3030862) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-(2-aminophenoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(2-aminophenoxy)propane-1,2-diol
PubChem CID3030862
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name3-(2-aminophenoxy)propane-1,2-diol
SMILESNc1ccccc1OCC(O)CO
InChIInChI=1S/C9H13NO3/c10-8-3-1-2-4-9(8)13-6-7(12)5-11/h1-4,7,11-12H,5-6,10H2
InChIKeyHPYYCONYZSKTMH-UHFFFAOYSA-N
XLogP0.00
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenoxy)propane-1,2-diol?
The IUPAC name of 3-(2-aminophenoxy)propane-1,2-diol (CID 3030862) is 3-(2-aminophenoxy)propane-1,2-diol.
What is the SMILES notation for 3-(2-aminophenoxy)propane-1,2-diol?
The canonical SMILES for 3-(2-aminophenoxy)propane-1,2-diol is Nc1ccccc1OCC(O)CO.
What is the InChIKey of 3-(2-aminophenoxy)propane-1,2-diol?
The InChIKey is HPYYCONYZSKTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c10-8-3-1-2-4-9(8)13-6-7(12)5-11/h1-4,7,11-12H,5-6,10H2.
What are the key properties of 3-(2-aminophenoxy)propane-1,2-diol?
3-(2-aminophenoxy)propane-1,2-diol has a molecular weight of 183.21 g/mol, XLogP of 0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenoxy)propane-1,2-diol is sourced from PubChem (CID 3030862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).