(2-hydroxy-3-phenoxypropyl)imino-oxido-phenylazanium

C15H16N2O3 — CID 14322989

IUPAC(2-hydroxy-3-phenoxypropyl)imino-oxido-phenylazanium
SMILES[O-]/[N+](=N\CC(O)COc1ccccc1)c1ccccc1
InChIInChI=1S/C15H16N2O3/c18-14(12-20-15-9-5-2-6-10-15)11-16-17(19)13-7-3-1-4-8-13/h1-10,14,18H,11-12H2/b17-16-
InChIKeyVRKVWGIUXGMNIP-MSUUIHNZSA-N
MW272.30 g/mol
LogP2.72
Rot. Bonds6

About (2-hydroxy-3-phenoxypropyl)imino-oxido-phenylazanium

(2-hydroxy-3-phenoxypropyl)imino-oxido-phenylazanium (PubChem CID 14322989) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2-hydroxy-3-phenoxypropyl)imino-oxido-phenylazanium.

Molecular Properties

Compound Name(2-hydroxy-3-phenoxypropyl)imino-oxido-phenylazanium
PubChem CID14322989
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(2-hydroxy-3-phenoxypropyl)imino-oxido-phenylazanium
SMILES[O-]/[N+](=N\CC(O)COc1ccccc1)c1ccccc1
InChIInChI=1S/C15H16N2O3/c18-14(12-20-15-9-5-2-6-10-15)11-16-17(19)13-7-3-1-4-8-13/h1-10,14,18H,11-12H2/b17-16-
InChIKeyVRKVWGIUXGMNIP-MSUUIHNZSA-N
XLogP2.72
TPSA67.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
1-(4-nitrophenoxy)-3-phenoxypropan-2-ol
CID 10493641
[(2S)-2-hydroxy-3-phenoxypropyl] nitrate
CID 177409654
1-[(4-nitrophenyl)methylideneamino]-3-phenoxypropan-2-ol
CID 86184636
3-phenoxypropane-1,2-diol
CID 10857
3-phenoxypropane-1,2-diol
CID 158587241
actinium;3-phenoxypropane-1,2-diol
CID 22981458
1-aminooxy-3-phenoxypropan-2-ol
CID 13273091
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
3-(2-hydroxy-3-phenoxypropyl)sulfanylpropane-1,2-diol
CID 10967176
1-(iodoamino)-3-phenoxypropan-2-ol
CID 89357647
1-[2-[bis(2-hydroxy-3-phenoxypropyl)amino]ethyl-(2-hydroxy-3-phenoxypropyl)amino]-3-phenoxypropan-2-ol
CID 4019354

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-phenoxypropyl)imino-oxido-phenylazanium?
The IUPAC name of (2-hydroxy-3-phenoxypropyl)imino-oxido-phenylazanium (CID 14322989) is (2-hydroxy-3-phenoxypropyl)imino-oxido-phenylazanium.
What is the SMILES notation for (2-hydroxy-3-phenoxypropyl)imino-oxido-phenylazanium?
The canonical SMILES for (2-hydroxy-3-phenoxypropyl)imino-oxido-phenylazanium is [O-]/[N+](=N\CC(O)COc1ccccc1)c1ccccc1.
What is the InChIKey of (2-hydroxy-3-phenoxypropyl)imino-oxido-phenylazanium?
The InChIKey is VRKVWGIUXGMNIP-MSUUIHNZSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-14(12-20-15-9-5-2-6-10-15)11-16-17(19)13-7-3-1-4-8-13/h1-10,14,18H,11-12H2/b17-16-.
What are the key properties of (2-hydroxy-3-phenoxypropyl)imino-oxido-phenylazanium?
(2-hydroxy-3-phenoxypropyl)imino-oxido-phenylazanium has a molecular weight of 272.30 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-phenoxypropyl)imino-oxido-phenylazanium is sourced from PubChem (CID 14322989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).