(2,4-dimethylphenyl)-(4-nitrophenyl)methanone

C15H13NO3 — CID 610466

IUPAC(2,4-dimethylphenyl)-(4-nitrophenyl)methanone
SMILESCc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1
InChIInChI=1S/C15H13NO3/c1-10-3-8-14(11(2)9-10)15(17)12-4-6-13(7-5-12)16(18)19/h3-9H,1-2H3
InChIKeyIVXPNHBDXKAHRJ-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.44
Rot. Bonds3

About (2,4-dimethylphenyl)-(4-nitrophenyl)methanone

(2,4-dimethylphenyl)-(4-nitrophenyl)methanone (PubChem CID 610466) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-(4-nitrophenyl)methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-(4-nitrophenyl)methanone
PubChem CID610466
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name(2,4-dimethylphenyl)-(4-nitrophenyl)methanone
SMILESCc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1
InChIInChI=1S/C15H13NO3/c1-10-3-8-14(11(2)9-10)15(17)12-4-6-13(7-5-12)16(18)19/h3-9H,1-2H3
InChIKeyIVXPNHBDXKAHRJ-UHFFFAOYSA-N
XLogP3.44
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.44
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

4-Nitrochalcone
CID 5377323
p-Nitroacetophenone
CID 7487
Aloe barbadensis extract
CID 5712222
3-Nitrobenzanthrone
CID 2825690
1,2-Bis(3-nitrophenyl)-1,2-ethanedione
CID 101375
2-Propen-1-one, 3-(3-nitrophenyl)-1-phenyl-
CID 5369664
2-Nitrophenanthraquinone
CID 94860
9,10-Phenanthrenedione, 4-nitro-
CID 94948
1-(4-Methyl-3-nitro-phenyl)-2-phenyl-ethane-1,2-dione
CID 4384851
4-Nitrobenzil
CID 283893
1,2-Bis(4-nitrophenyl)ethane-1,2-dione
CID 1812008
7-Nitro-1-tetralone
CID 38445

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-(4-nitrophenyl)methanone?
The IUPAC name of (2,4-dimethylphenyl)-(4-nitrophenyl)methanone (CID 610466) is (2,4-dimethylphenyl)-(4-nitrophenyl)methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-(4-nitrophenyl)methanone?
The canonical SMILES for (2,4-dimethylphenyl)-(4-nitrophenyl)methanone is Cc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-(4-nitrophenyl)methanone?
The InChIKey is IVXPNHBDXKAHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-10-3-8-14(11(2)9-10)15(17)12-4-6-13(7-5-12)16(18)19/h3-9H,1-2H3.
What are the key properties of (2,4-dimethylphenyl)-(4-nitrophenyl)methanone?
(2,4-dimethylphenyl)-(4-nitrophenyl)methanone has a molecular weight of 255.27 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-(4-nitrophenyl)methanone is sourced from PubChem (CID 610466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).