bis(4-methyl-3-nitrophenyl)methanone

C15H12N2O5 — CID 2259929

IUPACbis(4-methyl-3-nitrophenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H12N2O5/c1-9-3-5-11(7-13(9)16(19)20)15(18)12-6-4-10(2)14(8-12)17(21)22/h3-8H,1-2H3
InChIKeyIRIXNJMNGNFXGF-UHFFFAOYSA-N
MW300.27 g/mol
LogP3.35
Rot. Bonds4

About bis(4-methyl-3-nitrophenyl)methanone

bis(4-methyl-3-nitrophenyl)methanone (PubChem CID 2259929) has the molecular formula C15H12N2O5 and a molecular weight of 300.27 g/mol. Its IUPAC name is bis(4-methyl-3-nitrophenyl)methanone.

Molecular Properties

Compound Namebis(4-methyl-3-nitrophenyl)methanone
PubChem CID2259929
Molecular FormulaC15H12N2O5
Molecular Weight300.27 g/mol
Exact Mass300.07
IUPAC Namebis(4-methyl-3-nitrophenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H12N2O5/c1-9-3-5-11(7-13(9)16(19)20)15(18)12-6-4-10(2)14(8-12)17(21)22/h3-8H,1-2H3
InChIKeyIRIXNJMNGNFXGF-UHFFFAOYSA-N
XLogP3.35
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(2,4-dimethylphenyl)-(4-methyl-3-nitrophenyl)methanone
CID 886134
ethane;4-methyl-3-nitrobenzamide
CID 143806264
1-(4-methyl-3-nitrophenyl)propan-1-one
CID 23244249
1-(4-methyl-3-nitrophenyl)-3-phenylpropane-1,3-dione
CID 43138906
1-(4-methyl-3-nitrophenyl)butane-1,3-dione
CID 43114764
(2-chloro-5-fluorophenyl)-(4-methyl-3-nitrophenyl)methanone
CID 177201657
4-methyl-3-nitro-N-propylbenzamide
CID 2057629
(4-chloro-3-nitrophenyl)-(4-methylphenyl)methanone
CID 838862
N-(3,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 779436
N-(2-acetamidoethyl)-4-methyl-3-nitrobenzamide
CID 30595645
butane;ethane;ethyl 4-methyl-3-nitrobenzoate
CID 144857600
N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]acetamide
CID 6272511

Frequently Asked Questions

What is the IUPAC name of bis(4-methyl-3-nitrophenyl)methanone?
The IUPAC name of bis(4-methyl-3-nitrophenyl)methanone (CID 2259929) is bis(4-methyl-3-nitrophenyl)methanone.
What is the SMILES notation for bis(4-methyl-3-nitrophenyl)methanone?
The canonical SMILES for bis(4-methyl-3-nitrophenyl)methanone is Cc1ccc(C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-].
What is the InChIKey of bis(4-methyl-3-nitrophenyl)methanone?
The InChIKey is IRIXNJMNGNFXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5/c1-9-3-5-11(7-13(9)16(19)20)15(18)12-6-4-10(2)14(8-12)17(21)22/h3-8H,1-2H3.
What are the key properties of bis(4-methyl-3-nitrophenyl)methanone?
bis(4-methyl-3-nitrophenyl)methanone has a molecular weight of 300.27 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methyl-3-nitrophenyl)methanone is sourced from PubChem (CID 2259929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).