1-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]propan-2-ol

C11H15NO3 — CID 60885810

IUPAC1-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]propan-2-ol
SMILESC/C(=N\O)c1ccccc1OCC(C)O
InChIInChI=1S/C11H15NO3/c1-8(13)7-15-11-6-4-3-5-10(11)9(2)12-14/h3-6,8,13-14H,7H2,1-2H3/b12-9+
InChIKeyABBNQPURZAJISQ-FMIVXFBMSA-N
MW209.25 g/mol
LogP1.64
Rot. Bonds4

About 1-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]propan-2-ol

1-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]propan-2-ol (PubChem CID 60885810) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]propan-2-ol
PubChem CID60885810
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name1-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]propan-2-ol
SMILESC/C(=N\O)c1ccccc1OCC(C)O
InChIInChI=1S/C11H15NO3/c1-8(13)7-15-11-6-4-3-5-10(11)9(2)12-14/h3-6,8,13-14H,7H2,1-2H3/b12-9+
InChIKeyABBNQPURZAJISQ-FMIVXFBMSA-N
XLogP1.64
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]propan-2-ol?
The IUPAC name of 1-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]propan-2-ol (CID 60885810) is 1-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]propan-2-ol is C/C(=N\O)c1ccccc1OCC(C)O.
What is the InChIKey of 1-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]propan-2-ol?
The InChIKey is ABBNQPURZAJISQ-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(13)7-15-11-6-4-3-5-10(11)9(2)12-14/h3-6,8,13-14H,7H2,1-2H3/b12-9+.
What are the key properties of 1-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]propan-2-ol?
1-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]propan-2-ol has a molecular weight of 209.25 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]propan-2-ol is sourced from PubChem (CID 60885810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).