3-methoxyimino-1-(4-phenylphenyl)propan-1-one

C16H15NO2 — CID 2768549

IUPAC3-methoxyimino-1-(4-phenylphenyl)propan-1-one
SMILESCON=CCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H15NO2/c1-19-17-12-11-16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
InChIKeyDJOXEDHUJJDYFH-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.56
Rot. Bonds5

About 3-methoxyimino-1-(4-phenylphenyl)propan-1-one

3-methoxyimino-1-(4-phenylphenyl)propan-1-one (PubChem CID 2768549) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-methoxyimino-1-(4-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name3-methoxyimino-1-(4-phenylphenyl)propan-1-one
PubChem CID2768549
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name3-methoxyimino-1-(4-phenylphenyl)propan-1-one
SMILESCON=CCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H15NO2/c1-19-17-12-11-16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
InChIKeyDJOXEDHUJJDYFH-UHFFFAOYSA-N
XLogP3.56
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.56
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-methoxyimino-1-(4-phenylphenyl)propan-1-one?
The IUPAC name of 3-methoxyimino-1-(4-phenylphenyl)propan-1-one (CID 2768549) is 3-methoxyimino-1-(4-phenylphenyl)propan-1-one.
What is the SMILES notation for 3-methoxyimino-1-(4-phenylphenyl)propan-1-one?
The canonical SMILES for 3-methoxyimino-1-(4-phenylphenyl)propan-1-one is CON=CCC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-methoxyimino-1-(4-phenylphenyl)propan-1-one?
The InChIKey is DJOXEDHUJJDYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-19-17-12-11-16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3.
What are the key properties of 3-methoxyimino-1-(4-phenylphenyl)propan-1-one?
3-methoxyimino-1-(4-phenylphenyl)propan-1-one has a molecular weight of 253.30 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyimino-1-(4-phenylphenyl)propan-1-one is sourced from PubChem (CID 2768549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).