3-[(2,6-dichlorophenyl)methoxyimino]-1-phenylpropan-1-one

C16H13Cl2NO2 — CID 3824913

IUPAC3-[(2,6-dichlorophenyl)methoxyimino]-1-phenylpropan-1-one
SMILESO=C(CC=NOCc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C16H13Cl2NO2/c17-14-7-4-8-15(18)13(14)11-21-19-10-9-16(20)12-5-2-1-3-6-12/h1-8,10H,9,11H2
InChIKeyRPHXDRGVRZFVQF-UHFFFAOYSA-N
MW322.19 g/mol
LogP4.77
Rot. Bonds6

About 3-[(2,6-dichlorophenyl)methoxyimino]-1-phenylpropan-1-one

3-[(2,6-dichlorophenyl)methoxyimino]-1-phenylpropan-1-one (PubChem CID 3824913) has the molecular formula C16H13Cl2NO2 and a molecular weight of 322.19 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methoxyimino]-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methoxyimino]-1-phenylpropan-1-one
PubChem CID3824913
Molecular FormulaC16H13Cl2NO2
Molecular Weight322.19 g/mol
Exact Mass321.03
IUPAC Name3-[(2,6-dichlorophenyl)methoxyimino]-1-phenylpropan-1-one
SMILESO=C(CC=NOCc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C16H13Cl2NO2/c17-14-7-4-8-15(18)13(14)11-21-19-10-9-16(20)12-5-2-1-3-6-12/h1-8,10H,9,11H2
InChIKeyRPHXDRGVRZFVQF-UHFFFAOYSA-N
XLogP4.77
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 3-[(2,6-dichlorophenyl)methoxyimino]-1-phenylpropan-1-one?
The IUPAC name of 3-[(2,6-dichlorophenyl)methoxyimino]-1-phenylpropan-1-one (CID 3824913) is 3-[(2,6-dichlorophenyl)methoxyimino]-1-phenylpropan-1-one.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methoxyimino]-1-phenylpropan-1-one?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methoxyimino]-1-phenylpropan-1-one is O=C(CC=NOCc1c(Cl)cccc1Cl)c1ccccc1.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methoxyimino]-1-phenylpropan-1-one?
The InChIKey is RPHXDRGVRZFVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO2/c17-14-7-4-8-15(18)13(14)11-21-19-10-9-16(20)12-5-2-1-3-6-12/h1-8,10H,9,11H2.
What are the key properties of 3-[(2,6-dichlorophenyl)methoxyimino]-1-phenylpropan-1-one?
3-[(2,6-dichlorophenyl)methoxyimino]-1-phenylpropan-1-one has a molecular weight of 322.19 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methoxyimino]-1-phenylpropan-1-one is sourced from PubChem (CID 3824913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).