2-(2-imino-2-phenylethoxy)-1-phenylethanone

C16H15NO2 — CID 12781822

IUPAC2-(2-imino-2-phenylethoxy)-1-phenylethanone
SMILES[H]/N=C(\COCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO2/c17-15(13-7-3-1-4-8-13)11-19-12-16(18)14-9-5-2-6-10-14/h1-10,17H,11-12H2/b17-15+
InChIKeyLSKZVBZUCAAMPW-BMRADRMJSA-N
MW253.30 g/mol
LogP2.95
Rot. Bonds6

About 2-(2-imino-2-phenylethoxy)-1-phenylethanone

2-(2-imino-2-phenylethoxy)-1-phenylethanone (PubChem CID 12781822) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(2-imino-2-phenylethoxy)-1-phenylethanone.

Molecular Properties

Compound Name2-(2-imino-2-phenylethoxy)-1-phenylethanone
PubChem CID12781822
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-(2-imino-2-phenylethoxy)-1-phenylethanone
SMILES[H]/N=C(\COCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO2/c17-15(13-7-3-1-4-8-13)11-19-12-16(18)14-9-5-2-6-10-14/h1-10,17H,11-12H2/b17-15+
InChIKeyLSKZVBZUCAAMPW-BMRADRMJSA-N
XLogP2.95
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-2-phenylethoxy)-1-phenylethanone?
The IUPAC name of 2-(2-imino-2-phenylethoxy)-1-phenylethanone (CID 12781822) is 2-(2-imino-2-phenylethoxy)-1-phenylethanone.
What is the SMILES notation for 2-(2-imino-2-phenylethoxy)-1-phenylethanone?
The canonical SMILES for 2-(2-imino-2-phenylethoxy)-1-phenylethanone is [H]/N=C(\COCC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-imino-2-phenylethoxy)-1-phenylethanone?
The InChIKey is LSKZVBZUCAAMPW-BMRADRMJSA-N. The full InChI is InChI=1S/C16H15NO2/c17-15(13-7-3-1-4-8-13)11-19-12-16(18)14-9-5-2-6-10-14/h1-10,17H,11-12H2/b17-15+.
What are the key properties of 2-(2-imino-2-phenylethoxy)-1-phenylethanone?
2-(2-imino-2-phenylethoxy)-1-phenylethanone has a molecular weight of 253.30 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-2-phenylethoxy)-1-phenylethanone is sourced from PubChem (CID 12781822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).