1-(5-methyl-2-nitrophenyl)-2-(4-methylphenyl)ethanone

C16H15NO3 — CID 65462224

IUPAC1-(5-methyl-2-nitrophenyl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2cc(C)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H15NO3/c1-11-3-6-13(7-4-11)10-16(18)14-9-12(2)5-8-15(14)17(19)20/h3-9H,10H2,1-2H3
InChIKeyHWRGOPFYCLBSLD-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.64
Rot. Bonds4

About 1-(5-methyl-2-nitrophenyl)-2-(4-methylphenyl)ethanone

1-(5-methyl-2-nitrophenyl)-2-(4-methylphenyl)ethanone (PubChem CID 65462224) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(5-methyl-2-nitrophenyl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-2-nitrophenyl)-2-(4-methylphenyl)ethanone
PubChem CID65462224
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name1-(5-methyl-2-nitrophenyl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2cc(C)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H15NO3/c1-11-3-6-13(7-4-11)10-16(18)14-9-12(2)5-8-15(14)17(19)20/h3-9H,10H2,1-2H3
InChIKeyHWRGOPFYCLBSLD-UHFFFAOYSA-N
XLogP3.64
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenyl)-1-(5-methyl-2-nitrophenyl)ethanone
CID 65462426
2-(3-fluorophenyl)-1-(5-methyl-2-nitrophenyl)ethanone
CID 65462026
2-(3-chlorophenyl)-1-(5-methyl-2-nitrophenyl)ethanone
CID 65462629
1-(3-methyl-4-nitrophenyl)-2-(4-methylphenyl)ethanone
CID 61078266
1-(2-bromo-5-methylphenyl)-2-(4-nitrophenyl)ethanone
CID 81110987
2-(4-methylphenyl)-1-(4-nitrophenyl)ethanone
CID 61077720
2-(3-methyl-4-nitrophenyl)acetamide
CID 90937348
1-(2-nitrophenyl)-2-(4-nitrophenyl)ethanone
CID 12844789
N-[2-(chloromethyl)phenyl]-5-methyl-2-nitrobenzamide
CID 114298317
1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanone
CID 62504743
2-[methyl-(5-methyl-2-nitrobenzoyl)amino]acetic acid
CID 65461207
1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone
CID 141249588

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-nitrophenyl)-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-(5-methyl-2-nitrophenyl)-2-(4-methylphenyl)ethanone (CID 65462224) is 1-(5-methyl-2-nitrophenyl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-(5-methyl-2-nitrophenyl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-(5-methyl-2-nitrophenyl)-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)c2cc(C)ccc2[N+](=O)[O-])cc1.
What is the InChIKey of 1-(5-methyl-2-nitrophenyl)-2-(4-methylphenyl)ethanone?
The InChIKey is HWRGOPFYCLBSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-3-6-13(7-4-11)10-16(18)14-9-12(2)5-8-15(14)17(19)20/h3-9H,10H2,1-2H3.
What are the key properties of 1-(5-methyl-2-nitrophenyl)-2-(4-methylphenyl)ethanone?
1-(5-methyl-2-nitrophenyl)-2-(4-methylphenyl)ethanone has a molecular weight of 269.30 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-nitrophenyl)-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 65462224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).