1-(4-ethoxyphenyl)-2-(4-methylphenyl)iminoethanone

C17H17NO2 — CID 13115431

IUPAC1-(4-ethoxyphenyl)-2-(4-methylphenyl)iminoethanone
SMILESCCOc1ccc(C(=O)/C=N/c2ccc(C)cc2)cc1
InChIInChI=1S/C17H17NO2/c1-3-20-16-10-6-14(7-11-16)17(19)12-18-15-8-4-13(2)5-9-15/h4-12H,3H2,1-2H3/b18-12+
InChIKeyPSRZKBJKKHAWAB-LDADJPATSA-N
MW267.33 g/mol
LogP3.98
Rot. Bonds5

About 1-(4-ethoxyphenyl)-2-(4-methylphenyl)iminoethanone

1-(4-ethoxyphenyl)-2-(4-methylphenyl)iminoethanone (PubChem CID 13115431) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-(4-methylphenyl)iminoethanone.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-(4-methylphenyl)iminoethanone
PubChem CID13115431
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-(4-ethoxyphenyl)-2-(4-methylphenyl)iminoethanone
SMILESCCOc1ccc(C(=O)/C=N/c2ccc(C)cc2)cc1
InChIInChI=1S/C17H17NO2/c1-3-20-16-10-6-14(7-11-16)17(19)12-18-15-8-4-13(2)5-9-15/h4-12H,3H2,1-2H3/b18-12+
InChIKeyPSRZKBJKKHAWAB-LDADJPATSA-N
XLogP3.98
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.98
H-Bond Donors ≤ 50
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 1-(4-ethoxyphenyl)-2-(4-methylphenyl)iminoethanone?
The IUPAC name of 1-(4-ethoxyphenyl)-2-(4-methylphenyl)iminoethanone (CID 13115431) is 1-(4-ethoxyphenyl)-2-(4-methylphenyl)iminoethanone.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-(4-methylphenyl)iminoethanone?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-(4-methylphenyl)iminoethanone is CCOc1ccc(C(=O)/C=N/c2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-(4-methylphenyl)iminoethanone?
The InChIKey is PSRZKBJKKHAWAB-LDADJPATSA-N. The full InChI is InChI=1S/C17H17NO2/c1-3-20-16-10-6-14(7-11-16)17(19)12-18-15-8-4-13(2)5-9-15/h4-12H,3H2,1-2H3/b18-12+.
What are the key properties of 1-(4-ethoxyphenyl)-2-(4-methylphenyl)iminoethanone?
1-(4-ethoxyphenyl)-2-(4-methylphenyl)iminoethanone has a molecular weight of 267.33 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-(4-methylphenyl)iminoethanone is sourced from PubChem (CID 13115431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).