(2E)-2-phenylmethoxyiminobutane-1,3-diol

C11H15NO3 — CID 11138334

IUPAC(2E)-2-phenylmethoxyiminobutane-1,3-diol
SMILESCC(O)/C(CO)=N/OCc1ccccc1
InChIInChI=1S/C11H15NO3/c1-9(14)11(7-13)12-15-8-10-5-3-2-4-6-10/h2-6,9,13-14H,7-8H2,1H3/b12-11+
InChIKeyILEZKYOIXVGRKD-VAWYXSNFSA-N
MW209.25 g/mol
LogP0.93
Rot. Bonds5

About (2E)-2-phenylmethoxyiminobutane-1,3-diol

(2E)-2-phenylmethoxyiminobutane-1,3-diol (PubChem CID 11138334) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (2E)-2-phenylmethoxyiminobutane-1,3-diol.

Molecular Properties

Compound Name(2E)-2-phenylmethoxyiminobutane-1,3-diol
PubChem CID11138334
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name(2E)-2-phenylmethoxyiminobutane-1,3-diol
SMILESCC(O)/C(CO)=N/OCc1ccccc1
InChIInChI=1S/C11H15NO3/c1-9(14)11(7-13)12-15-8-10-5-3-2-4-6-10/h2-6,9,13-14H,7-8H2,1H3/b12-11+
InChIKeyILEZKYOIXVGRKD-VAWYXSNFSA-N
XLogP0.93
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-methyl-N-phenylmethoxypentan-3-imine
CID 155206279
(E)-3-methyl-N-phenylmethoxybutan-2-imine
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(5E)-2-methyl-5-phenylmethoxyiminohexan-3-ol
CID 11172393
2-hydroxy-3-phenyl-N'-phenylmethoxypropanimidamide
CID 11346261
(E)-1-cyclopropyl-N-phenylmethoxyethanimine
CID 163358834
(2E)-2-phenylmethoxyiminopropanamide
CID 6108919
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
4-(hydroxymethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 74062145
1-phenylmethoxyethanol;propane-1,2,3-triol
CID 157415371
(2R,3R)-2-phenylmethoxybutane-1,3-diol
CID 130609358
(2R,3R)-3-phenylmethoxybutane-1,2-diol
CID 13119193

Frequently Asked Questions

What is the IUPAC name of (2E)-2-phenylmethoxyiminobutane-1,3-diol?
The IUPAC name of (2E)-2-phenylmethoxyiminobutane-1,3-diol (CID 11138334) is (2E)-2-phenylmethoxyiminobutane-1,3-diol.
What is the SMILES notation for (2E)-2-phenylmethoxyiminobutane-1,3-diol?
The canonical SMILES for (2E)-2-phenylmethoxyiminobutane-1,3-diol is CC(O)/C(CO)=N/OCc1ccccc1.
What is the InChIKey of (2E)-2-phenylmethoxyiminobutane-1,3-diol?
The InChIKey is ILEZKYOIXVGRKD-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H15NO3/c1-9(14)11(7-13)12-15-8-10-5-3-2-4-6-10/h2-6,9,13-14H,7-8H2,1H3/b12-11+.
What are the key properties of (2E)-2-phenylmethoxyiminobutane-1,3-diol?
(2E)-2-phenylmethoxyiminobutane-1,3-diol has a molecular weight of 209.25 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-phenylmethoxyiminobutane-1,3-diol is sourced from PubChem (CID 11138334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).