(2E)-2-methoxyimino-1,2-diphenylethanone

C15H13NO2 — CID 5381880

IUPAC(2E)-2-methoxyimino-1,2-diphenylethanone
SMILESCO/N=C(/C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NO2/c1-18-16-14(12-8-4-2-5-9-12)15(17)13-10-6-3-7-11-13/h2-11H,1H3/b16-14+
InChIKeyKJMUCDXADVDWBG-JQIJEIRASA-N
MW239.27 g/mol
LogP2.92
Rot. Bonds4

About (2E)-2-methoxyimino-1,2-diphenylethanone

(2E)-2-methoxyimino-1,2-diphenylethanone (PubChem CID 5381880) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is (2E)-2-methoxyimino-1,2-diphenylethanone.

Molecular Properties

Compound Name(2E)-2-methoxyimino-1,2-diphenylethanone
PubChem CID5381880
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name(2E)-2-methoxyimino-1,2-diphenylethanone
SMILESCO/N=C(/C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NO2/c1-18-16-14(12-8-4-2-5-9-12)15(17)13-10-6-3-7-11-13/h2-11H,1H3/b16-14+
InChIKeyKJMUCDXADVDWBG-JQIJEIRASA-N
XLogP2.92
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_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 (2E)-2-methoxyimino-1,2-diphenylethanone?
The IUPAC name of (2E)-2-methoxyimino-1,2-diphenylethanone (CID 5381880) is (2E)-2-methoxyimino-1,2-diphenylethanone.
What is the SMILES notation for (2E)-2-methoxyimino-1,2-diphenylethanone?
The canonical SMILES for (2E)-2-methoxyimino-1,2-diphenylethanone is CO/N=C(/C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2E)-2-methoxyimino-1,2-diphenylethanone?
The InChIKey is KJMUCDXADVDWBG-JQIJEIRASA-N. The full InChI is InChI=1S/C15H13NO2/c1-18-16-14(12-8-4-2-5-9-12)15(17)13-10-6-3-7-11-13/h2-11H,1H3/b16-14+.
What are the key properties of (2E)-2-methoxyimino-1,2-diphenylethanone?
(2E)-2-methoxyimino-1,2-diphenylethanone has a molecular weight of 239.27 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-methoxyimino-1,2-diphenylethanone is sourced from PubChem (CID 5381880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).