(2Z)-2-(4-chlorophenyl)-2-hydroxyimino-1-phenylethanone

C14H10ClNO2 — CID 6415852

IUPAC(2Z)-2-(4-chlorophenyl)-2-hydroxyimino-1-phenylethanone
SMILESO=C(/C(=N\O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H10ClNO2/c15-12-8-6-10(7-9-12)13(16-18)14(17)11-4-2-1-3-5-11/h1-9,18H/b16-13-
InChIKeyFHODHVXMGYXGGR-SSZFMOIBSA-N
MW259.69 g/mol
LogP3.40
Rot. Bonds3

About (2Z)-2-(4-chlorophenyl)-2-hydroxyimino-1-phenylethanone

(2Z)-2-(4-chlorophenyl)-2-hydroxyimino-1-phenylethanone (PubChem CID 6415852) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is (2Z)-2-(4-chlorophenyl)-2-hydroxyimino-1-phenylethanone.

Molecular Properties

Compound Name(2Z)-2-(4-chlorophenyl)-2-hydroxyimino-1-phenylethanone
PubChem CID6415852
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name(2Z)-2-(4-chlorophenyl)-2-hydroxyimino-1-phenylethanone
SMILESO=C(/C(=N\O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H10ClNO2/c15-12-8-6-10(7-9-12)13(16-18)14(17)11-4-2-1-3-5-11/h1-9,18H/b16-13-
InChIKeyFHODHVXMGYXGGR-SSZFMOIBSA-N
XLogP3.40
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 53.40
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

2-(4-chlorophenyl)-2-hydrazinylidene-1-phenylethanone
CID 154386910
2-hydroxyimino-2-(4-nitrophenyl)-1-phenylethanone
CID 86222058
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
(Z)-2-(4-chlorophenyl)-3-hydroxy-1-phenylprop-2-en-1-one
CID 11817774
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione;iron
CID 70488368
(2E)-2-hydroxyimino-2-(3-methylphenyl)-1-(4-methylphenyl)ethanone
CID 87399284

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(4-chlorophenyl)-2-hydroxyimino-1-phenylethanone?
The IUPAC name of (2Z)-2-(4-chlorophenyl)-2-hydroxyimino-1-phenylethanone (CID 6415852) is (2Z)-2-(4-chlorophenyl)-2-hydroxyimino-1-phenylethanone.
What is the SMILES notation for (2Z)-2-(4-chlorophenyl)-2-hydroxyimino-1-phenylethanone?
The canonical SMILES for (2Z)-2-(4-chlorophenyl)-2-hydroxyimino-1-phenylethanone is O=C(/C(=N\O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of (2Z)-2-(4-chlorophenyl)-2-hydroxyimino-1-phenylethanone?
The InChIKey is FHODHVXMGYXGGR-SSZFMOIBSA-N. The full InChI is InChI=1S/C14H10ClNO2/c15-12-8-6-10(7-9-12)13(16-18)14(17)11-4-2-1-3-5-11/h1-9,18H/b16-13-.
What are the key properties of (2Z)-2-(4-chlorophenyl)-2-hydroxyimino-1-phenylethanone?
(2Z)-2-(4-chlorophenyl)-2-hydroxyimino-1-phenylethanone has a molecular weight of 259.69 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(4-chlorophenyl)-2-hydroxyimino-1-phenylethanone is sourced from PubChem (CID 6415852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).