(2E)-1-phenyl-2-phenylmethoxyiminoethanone

C15H13NO2 — CID 12745727

IUPAC(2E)-1-phenyl-2-phenylmethoxyiminoethanone
SMILESO=C(/C=N/OCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NO2/c17-15(14-9-5-2-6-10-14)11-16-18-12-13-7-3-1-4-8-13/h1-11H,12H2/b16-11+
InChIKeyJMAJQQJVNCUZDP-LFIBNONCSA-N
MW239.27 g/mol
LogP3.07
Rot. Bonds5

About (2E)-1-phenyl-2-phenylmethoxyiminoethanone

(2E)-1-phenyl-2-phenylmethoxyiminoethanone (PubChem CID 12745727) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is (2E)-1-phenyl-2-phenylmethoxyiminoethanone.

Molecular Properties

Compound Name(2E)-1-phenyl-2-phenylmethoxyiminoethanone
PubChem CID12745727
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name(2E)-1-phenyl-2-phenylmethoxyiminoethanone
SMILESO=C(/C=N/OCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NO2/c17-15(14-9-5-2-6-10-14)11-16-18-12-13-7-3-1-4-8-13/h1-11H,12H2/b16-11+
InChIKeyJMAJQQJVNCUZDP-LFIBNONCSA-N
XLogP3.07
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

benzaldehyde O-benzoyloxime
CID 11206881
4-fluorobenzaldehyde O-benzoyloxime
CID 11368513
3,4-difluorobenzaldehyde O-benzoyloxime
CID 11470979
[(E)-(4-fluorophenyl)methylideneamino] 4-fluorobenzoate
CID 11608607
1,2-Propanedione, 1-phenyl-, 2-(O-benzoyloxime)
CID 86537
3-oxo-3-phenylpropanal O-(2,6-dichlorobenzyl)oxime
CID 9637746
[(E)-(3,6-dioxo-4-propan-2-ylcyclohexa-1,4-dien-1-yl)methylideneamino] 2-methylbenzoate
CID 90643726
[(E)-(2,3-difluorophenyl)methylideneamino] benzoate
CID 11507196
(1E,2E)-3-phenylacrylaldehyde O-benzoyloxime
CID 11521655
[(E)-(3,5-difluorophenyl)methylideneamino] benzoate
CID 11536244
3,4-difluorobenzaldehyde O-(3,4-difluorobenzoyl)oxime
CID 11543912
[(E)-(2,4-difluorophenyl)methylideneamino] 4-fluorobenzoate
CID 11565365

Frequently Asked Questions

What is the IUPAC name of (2E)-1-phenyl-2-phenylmethoxyiminoethanone?
The IUPAC name of (2E)-1-phenyl-2-phenylmethoxyiminoethanone (CID 12745727) is (2E)-1-phenyl-2-phenylmethoxyiminoethanone.
What is the SMILES notation for (2E)-1-phenyl-2-phenylmethoxyiminoethanone?
The canonical SMILES for (2E)-1-phenyl-2-phenylmethoxyiminoethanone is O=C(/C=N/OCc1ccccc1)c1ccccc1.
What is the InChIKey of (2E)-1-phenyl-2-phenylmethoxyiminoethanone?
The InChIKey is JMAJQQJVNCUZDP-LFIBNONCSA-N. The full InChI is InChI=1S/C15H13NO2/c17-15(14-9-5-2-6-10-14)11-16-18-12-13-7-3-1-4-8-13/h1-11H,12H2/b16-11+.
What are the key properties of (2E)-1-phenyl-2-phenylmethoxyiminoethanone?
(2E)-1-phenyl-2-phenylmethoxyiminoethanone has a molecular weight of 239.27 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-phenyl-2-phenylmethoxyiminoethanone is sourced from PubChem (CID 12745727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).