(2E)-2-hydroxyimino-2-(3-methylphenyl)-1-(4-methylphenyl)ethanone

C16H15NO2 — CID 87399284

IUPAC(2E)-2-hydroxyimino-2-(3-methylphenyl)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)/C(=N/O)c2cccc(C)c2)cc1
InChIInChI=1S/C16H15NO2/c1-11-6-8-13(9-7-11)16(18)15(17-19)14-5-3-4-12(2)10-14/h3-10,19H,1-2H3/b17-15+
InChIKeyMHJQBRBNRFRXLJ-BMRADRMJSA-N
MW253.30 g/mol
LogP3.36
Rot. Bonds3

About (2E)-2-hydroxyimino-2-(3-methylphenyl)-1-(4-methylphenyl)ethanone

(2E)-2-hydroxyimino-2-(3-methylphenyl)-1-(4-methylphenyl)ethanone (PubChem CID 87399284) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-2-(3-methylphenyl)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-2-(3-methylphenyl)-1-(4-methylphenyl)ethanone
PubChem CID87399284
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(2E)-2-hydroxyimino-2-(3-methylphenyl)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)/C(=N/O)c2cccc(C)c2)cc1
InChIInChI=1S/C16H15NO2/c1-11-6-8-13(9-7-11)16(18)15(17-19)14-5-3-4-12(2)10-14/h3-10,19H,1-2H3/b17-15+
InChIKeyMHJQBRBNRFRXLJ-BMRADRMJSA-N
XLogP3.36
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.36
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

bis(3-methylphenyl)methanone
CID 17848
3-methylbenzoic acid;nitrous acid
CID 175097452
3-methylbenzoic acid
CID 7418
(3-methylbenzoyl)azanium
CID 153183849
N'-hydroxy-3-methylbenzenecarboximidamide
CID 162202893
(Z)-1,2,3,4-tetrakis(4-methylphenyl)but-2-ene-1,4-dione
CID 12516207
(2Z)-2-(4-chlorophenyl)-2-hydroxyimino-1-phenylethanone
CID 6415852
(3-methylphenyl)-[4-[(4-methylphenyl)methyl]phenyl]methanone
CID 54157138
3-methylbenzenecarboselenoic Se-acid
CID 166513879
CID 101297342
CID 101297342
gallium tris(3-methylbenzoate)
CID 22604030
3-methyl-1-(3-methylphenyl)butane-1,2-dione
CID 83697695

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-2-(3-methylphenyl)-1-(4-methylphenyl)ethanone?
The IUPAC name of (2E)-2-hydroxyimino-2-(3-methylphenyl)-1-(4-methylphenyl)ethanone (CID 87399284) is (2E)-2-hydroxyimino-2-(3-methylphenyl)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for (2E)-2-hydroxyimino-2-(3-methylphenyl)-1-(4-methylphenyl)ethanone?
The canonical SMILES for (2E)-2-hydroxyimino-2-(3-methylphenyl)-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)/C(=N/O)c2cccc(C)c2)cc1.
What is the InChIKey of (2E)-2-hydroxyimino-2-(3-methylphenyl)-1-(4-methylphenyl)ethanone?
The InChIKey is MHJQBRBNRFRXLJ-BMRADRMJSA-N. The full InChI is InChI=1S/C16H15NO2/c1-11-6-8-13(9-7-11)16(18)15(17-19)14-5-3-4-12(2)10-14/h3-10,19H,1-2H3/b17-15+.
What are the key properties of (2E)-2-hydroxyimino-2-(3-methylphenyl)-1-(4-methylphenyl)ethanone?
(2E)-2-hydroxyimino-2-(3-methylphenyl)-1-(4-methylphenyl)ethanone has a molecular weight of 253.30 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-2-(3-methylphenyl)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 87399284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).