1-(4-methylphenyl)-3-(3-methylphenyl)iminopropan-1-one

C17H17NO — CID 4131662

IUPAC1-(4-methylphenyl)-3-(3-methylphenyl)iminopropan-1-one
SMILESCc1ccc(C(=O)C/C=N/c2cccc(C)c2)cc1
InChIInChI=1S/C17H17NO/c1-13-6-8-15(9-7-13)17(19)10-11-18-16-5-3-4-14(2)12-16/h3-9,11-12H,10H2,1-2H3/b18-11+
InChIKeyVIHJVZRNNQIBML-WOJGMQOQSA-N
MW251.33 g/mol
LogP4.28
Rot. Bonds4

About 1-(4-methylphenyl)-3-(3-methylphenyl)iminopropan-1-one

1-(4-methylphenyl)-3-(3-methylphenyl)iminopropan-1-one (PubChem CID 4131662) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(3-methylphenyl)iminopropan-1-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(3-methylphenyl)iminopropan-1-one
PubChem CID4131662
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1-(4-methylphenyl)-3-(3-methylphenyl)iminopropan-1-one
SMILESCc1ccc(C(=O)C/C=N/c2cccc(C)c2)cc1
InChIInChI=1S/C17H17NO/c1-13-6-8-15(9-7-13)17(19)10-11-18-16-5-3-4-14(2)12-16/h3-9,11-12H,10H2,1-2H3/b18-11+
InChIKeyVIHJVZRNNQIBML-WOJGMQOQSA-N
XLogP4.28
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethylphenyl)imino-1-(4-methylphenyl)propan-1-one
CID 4127588
(3E)-1-(4-methylphenyl)-3-pyridin-2-yliminopropan-1-one
CID 91896388
1-(4-bromophenyl)-3-(2,4-dimethylphenyl)iminopropan-1-one
CID 4558822
3-(2,4-dimethoxyphenyl)imino-1-(4-methylphenyl)propan-1-one
CID 7208289
3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one
CID 24725664
1-(3-methylphenyl)but-3-en-1-one
CID 61380184
N'-(3-methylphenyl)methanimidamide
CID 55300494
N-hydroxy-N'-(3-methylphenyl)methanimidamide
CID 20763605
1-(4-chlorophenyl)-3-(4-hydroxyphenyl)iminopropan-1-one
CID 3564747
N-hydroxy-4-methyl-N'-(3-methylphenyl)benzenecarboximidamide
CID 12966219
(3-methylphenyl)-[4-[(4-methylphenyl)methyl]phenyl]methanone
CID 54157138
8-[(3-methylphenyl)iminomethyl]naphthalene-1-carboxylic acid
CID 10755862

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(3-methylphenyl)iminopropan-1-one?
The IUPAC name of 1-(4-methylphenyl)-3-(3-methylphenyl)iminopropan-1-one (CID 4131662) is 1-(4-methylphenyl)-3-(3-methylphenyl)iminopropan-1-one.
What is the SMILES notation for 1-(4-methylphenyl)-3-(3-methylphenyl)iminopropan-1-one?
The canonical SMILES for 1-(4-methylphenyl)-3-(3-methylphenyl)iminopropan-1-one is Cc1ccc(C(=O)C/C=N/c2cccc(C)c2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(3-methylphenyl)iminopropan-1-one?
The InChIKey is VIHJVZRNNQIBML-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H17NO/c1-13-6-8-15(9-7-13)17(19)10-11-18-16-5-3-4-14(2)12-16/h3-9,11-12H,10H2,1-2H3/b18-11+.
What are the key properties of 1-(4-methylphenyl)-3-(3-methylphenyl)iminopropan-1-one?
1-(4-methylphenyl)-3-(3-methylphenyl)iminopropan-1-one has a molecular weight of 251.33 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(3-methylphenyl)iminopropan-1-one is sourced from PubChem (CID 4131662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).