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

C14H11NO2 — CID 6399014

IUPAC(2E)-2-hydroxyimino-1,2-diphenylethanone
SMILESO=C(/C(=N/O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11NO2/c16-14(12-9-5-2-6-10-12)13(15-17)11-7-3-1-4-8-11/h1-10,17H/b15-13+
InChIKeyOLBYFEGTUWWPTR-FYWRMAATSA-N
MW225.25 g/mol
LogP2.75
Rot. Bonds3

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

(2E)-2-hydroxyimino-1,2-diphenylethanone (PubChem CID 6399014) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-1,2-diphenylethanone.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-1,2-diphenylethanone
PubChem CID6399014
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name(2E)-2-hydroxyimino-1,2-diphenylethanone
SMILESO=C(/C(=N/O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11NO2/c16-14(12-9-5-2-6-10-12)13(15-17)11-7-3-1-4-8-11/h1-10,17H/b15-13+
InChIKeyOLBYFEGTUWWPTR-FYWRMAATSA-N
XLogP2.75
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzil
CID 8651
1-Phenyl-1,2-propanedione-2-oxime
CID 9566063
1,2-Propanedione, 1-phenyl-, 2-oxime
CID 6399024
Isonitrosoacetophenone
CID 9566037
Hydrazonodeoxybenzoin
CID 5538956
1-(Hydroxyimino)-1-phenylacetone
CID 9561212
(2Z)-2-hydrazinylidene-1,2-diphenylethanone
CID 5370734
Ethanone, diazodiphenyl-
CID 137954
Benzil (Z)-monoxime
CID 6398987
1,3-Naphthalenediol, 2,4-dinitroso-
CID 135478641
10-Iminophenanthren-9-one
CID 283892
2-Hydroxyimino-1-tetralone
CID 6813148

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-1,2-diphenylethanone?
The IUPAC name of (2E)-2-hydroxyimino-1,2-diphenylethanone (CID 6399014) is (2E)-2-hydroxyimino-1,2-diphenylethanone.
What is the SMILES notation for (2E)-2-hydroxyimino-1,2-diphenylethanone?
The canonical SMILES for (2E)-2-hydroxyimino-1,2-diphenylethanone is O=C(/C(=N/O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2E)-2-hydroxyimino-1,2-diphenylethanone?
The InChIKey is OLBYFEGTUWWPTR-FYWRMAATSA-N. The full InChI is InChI=1S/C14H11NO2/c16-14(12-9-5-2-6-10-12)13(15-17)11-7-3-1-4-8-11/h1-10,17H/b15-13+.
What are the key properties of (2E)-2-hydroxyimino-1,2-diphenylethanone?
(2E)-2-hydroxyimino-1,2-diphenylethanone has a molecular weight of 225.25 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-1,2-diphenylethanone is sourced from PubChem (CID 6399014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).