1-aminooxy-3-phenoxypropan-2-ol

C9H13NO3 — CID 13273091

IUPAC1-aminooxy-3-phenoxypropan-2-ol
SMILESNOCC(O)COc1ccccc1
InChIInChI=1S/C9H13NO3/c10-13-7-8(11)6-12-9-4-2-1-3-5-9/h1-5,8,11H,6-7,10H2
InChIKeyDMQXBPCSBLNYMR-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.32
Rot. Bonds5

About 1-aminooxy-3-phenoxypropan-2-ol

1-aminooxy-3-phenoxypropan-2-ol (PubChem CID 13273091) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-aminooxy-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-aminooxy-3-phenoxypropan-2-ol
PubChem CID13273091
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-aminooxy-3-phenoxypropan-2-ol
SMILESNOCC(O)COc1ccccc1
InChIInChI=1S/C9H13NO3/c10-13-7-8(11)6-12-9-4-2-1-3-5-9/h1-5,8,11H,6-7,10H2
InChIKeyDMQXBPCSBLNYMR-UHFFFAOYSA-N
XLogP0.32
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-aminooxy-3-phenoxypropan-2-ol 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

(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
3-phenoxypropane-1,2-diol
CID 158587241
3-phenoxypropane-1,2-diol
CID 10857
actinium;3-phenoxypropane-1,2-diol
CID 22981458
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
1-(2-hydroxyethoxy)-3-phenoxypropan-2-ol
CID 70425205
1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
CID 3030941
(2S)-1-[4-[2-[4-[(2S)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974246
(2S)-1-[4-[2-[4-[(2R)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974245
[(2S)-2-hydroxy-3-phenoxypropyl] nitrate
CID 177409654
(2-hydroxy-3-phenoxypropyl) methylphosphanylformate
CID 59790512
1-(iodoamino)-3-phenoxypropan-2-ol
CID 89357647

Frequently Asked Questions

What is the IUPAC name of 1-aminooxy-3-phenoxypropan-2-ol?
The IUPAC name of 1-aminooxy-3-phenoxypropan-2-ol (CID 13273091) is 1-aminooxy-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-aminooxy-3-phenoxypropan-2-ol?
The canonical SMILES for 1-aminooxy-3-phenoxypropan-2-ol is NOCC(O)COc1ccccc1.
What is the InChIKey of 1-aminooxy-3-phenoxypropan-2-ol?
The InChIKey is DMQXBPCSBLNYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c10-13-7-8(11)6-12-9-4-2-1-3-5-9/h1-5,8,11H,6-7,10H2.
What are the key properties of 1-aminooxy-3-phenoxypropan-2-ol?
1-aminooxy-3-phenoxypropan-2-ol has a molecular weight of 183.21 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminooxy-3-phenoxypropan-2-ol is sourced from PubChem (CID 13273091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).