(2E)-2-methoxyimino-2-[2-(phenoxymethyl)phenyl]acetaldehyde

C16H15NO3 — CID 59317946

IUPAC(2E)-2-methoxyimino-2-[2-(phenoxymethyl)phenyl]acetaldehyde
SMILESCO/N=C(/C=O)c1ccccc1COc1ccccc1
InChIInChI=1S/C16H15NO3/c1-19-17-16(11-18)15-10-6-5-7-13(15)12-20-14-8-3-2-4-9-14/h2-11H,12H2,1H3/b17-16-
InChIKeyGTBAVDYIBBPYIG-MSUUIHNZSA-N
MW269.30 g/mol
LogP2.82
Rot. Bonds6

About (2E)-2-methoxyimino-2-[2-(phenoxymethyl)phenyl]acetaldehyde

(2E)-2-methoxyimino-2-[2-(phenoxymethyl)phenyl]acetaldehyde (PubChem CID 59317946) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2E)-2-methoxyimino-2-[2-(phenoxymethyl)phenyl]acetaldehyde.

Molecular Properties

Compound Name(2E)-2-methoxyimino-2-[2-(phenoxymethyl)phenyl]acetaldehyde
PubChem CID59317946
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name(2E)-2-methoxyimino-2-[2-(phenoxymethyl)phenyl]acetaldehyde
SMILESCO/N=C(/C=O)c1ccccc1COc1ccccc1
InChIInChI=1S/C16H15NO3/c1-19-17-16(11-18)15-10-6-5-7-13(15)12-20-14-8-3-2-4-9-14/h2-11H,12H2,1H3/b17-16-
InChIKeyGTBAVDYIBBPYIG-MSUUIHNZSA-N
XLogP2.82
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyimino-N'-methyl-2-[2-(phenoxymethyl)phenyl]ethanimidamide
CID 139653553
(2E)-2-(2-acetylphenyl)-2-methoxyiminoacetaldehyde
CID 59885030
acetic acid;2-(phenoxymethyl)benzoic acid
CID 154809758
N,N-dimethyl-2-(phenoxymethyl)benzamide
CID 134022314
methyl 2-[2-[(3-formylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 142667829
ethyl 2-(phenoxymethyl)benzoate
CID 14674220
2-amino-2-methoxy-1-[2-(phenoxymethyl)phenyl]ethanone
CID 123684387
methyl (2E)-2-[2-[(4-acetylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 18649055
methyl 2-[2-[(4-acetylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 54461346
N,N-diethyl-2-(phenoxymethyl)benzamide
CID 78777252
(1Z)-N-methoxy-2-[(4-methylphenoxy)methyl]benzenecarboximidoyl cyanide
CID 22415779
2-ethoxyimino-2-[2-(phenoxymethyl)phenyl]acetyl chloride
CID 54129940

Frequently Asked Questions

What is the IUPAC name of (2E)-2-methoxyimino-2-[2-(phenoxymethyl)phenyl]acetaldehyde?
The IUPAC name of (2E)-2-methoxyimino-2-[2-(phenoxymethyl)phenyl]acetaldehyde (CID 59317946) is (2E)-2-methoxyimino-2-[2-(phenoxymethyl)phenyl]acetaldehyde.
What is the SMILES notation for (2E)-2-methoxyimino-2-[2-(phenoxymethyl)phenyl]acetaldehyde?
The canonical SMILES for (2E)-2-methoxyimino-2-[2-(phenoxymethyl)phenyl]acetaldehyde is CO/N=C(/C=O)c1ccccc1COc1ccccc1.
What is the InChIKey of (2E)-2-methoxyimino-2-[2-(phenoxymethyl)phenyl]acetaldehyde?
The InChIKey is GTBAVDYIBBPYIG-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H15NO3/c1-19-17-16(11-18)15-10-6-5-7-13(15)12-20-14-8-3-2-4-9-14/h2-11H,12H2,1H3/b17-16-.
What are the key properties of (2E)-2-methoxyimino-2-[2-(phenoxymethyl)phenyl]acetaldehyde?
(2E)-2-methoxyimino-2-[2-(phenoxymethyl)phenyl]acetaldehyde has a molecular weight of 269.30 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-methoxyimino-2-[2-(phenoxymethyl)phenyl]acetaldehyde is sourced from PubChem (CID 59317946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).