(2E)-1-(4-bromophenyl)-2-hydroxyimino-2-phenylethanone

C14H10BrNO2 — CID 134833458

IUPAC(2E)-1-(4-bromophenyl)-2-hydroxyimino-2-phenylethanone
SMILESO=C(/C(=N/O)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H10BrNO2/c15-12-8-6-11(7-9-12)14(17)13(16-18)10-4-2-1-3-5-10/h1-9,18H/b16-13+
InChIKeyRMCBVTDBVXKZSU-DTQAZKPQSA-N
MW304.14 g/mol
LogP3.51
Rot. Bonds3

About (2E)-1-(4-bromophenyl)-2-hydroxyimino-2-phenylethanone

(2E)-1-(4-bromophenyl)-2-hydroxyimino-2-phenylethanone (PubChem CID 134833458) has the molecular formula C14H10BrNO2 and a molecular weight of 304.14 g/mol. Its IUPAC name is (2E)-1-(4-bromophenyl)-2-hydroxyimino-2-phenylethanone.

Molecular Properties

Compound Name(2E)-1-(4-bromophenyl)-2-hydroxyimino-2-phenylethanone
PubChem CID134833458
Molecular FormulaC14H10BrNO2
Molecular Weight304.14 g/mol
Exact Mass302.99
IUPAC Name(2E)-1-(4-bromophenyl)-2-hydroxyimino-2-phenylethanone
SMILESO=C(/C(=N/O)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H10BrNO2/c15-12-8-6-11(7-9-12)14(17)13(16-18)10-4-2-1-3-5-10/h1-9,18H/b16-13+
InChIKeyRMCBVTDBVXKZSU-DTQAZKPQSA-N
XLogP3.51
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 53.51
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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Frequently Asked Questions

What is the IUPAC name of (2E)-1-(4-bromophenyl)-2-hydroxyimino-2-phenylethanone?
The IUPAC name of (2E)-1-(4-bromophenyl)-2-hydroxyimino-2-phenylethanone (CID 134833458) is (2E)-1-(4-bromophenyl)-2-hydroxyimino-2-phenylethanone.
What is the SMILES notation for (2E)-1-(4-bromophenyl)-2-hydroxyimino-2-phenylethanone?
The canonical SMILES for (2E)-1-(4-bromophenyl)-2-hydroxyimino-2-phenylethanone is O=C(/C(=N/O)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of (2E)-1-(4-bromophenyl)-2-hydroxyimino-2-phenylethanone?
The InChIKey is RMCBVTDBVXKZSU-DTQAZKPQSA-N. The full InChI is InChI=1S/C14H10BrNO2/c15-12-8-6-11(7-9-12)14(17)13(16-18)10-4-2-1-3-5-10/h1-9,18H/b16-13+.
What are the key properties of (2E)-1-(4-bromophenyl)-2-hydroxyimino-2-phenylethanone?
(2E)-1-(4-bromophenyl)-2-hydroxyimino-2-phenylethanone has a molecular weight of 304.14 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(4-bromophenyl)-2-hydroxyimino-2-phenylethanone is sourced from PubChem (CID 134833458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).