(2,4-dimethylphenyl)-(4-methoxy-3-nitrophenyl)methanone

C16H15NO4 — CID 91678423

IUPAC(2,4-dimethylphenyl)-(4-methoxy-3-nitrophenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(C)cc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15NO4/c1-10-4-6-13(11(2)8-10)16(18)12-5-7-15(21-3)14(9-12)17(19)20/h4-9H,1-3H3
InChIKeyDJJKLKUXJXHIKX-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.45
Rot. Bonds4

About (2,4-dimethylphenyl)-(4-methoxy-3-nitrophenyl)methanone

(2,4-dimethylphenyl)-(4-methoxy-3-nitrophenyl)methanone (PubChem CID 91678423) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-(4-methoxy-3-nitrophenyl)methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-(4-methoxy-3-nitrophenyl)methanone
PubChem CID91678423
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name(2,4-dimethylphenyl)-(4-methoxy-3-nitrophenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(C)cc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15NO4/c1-10-4-6-13(11(2)8-10)16(18)12-5-7-15(21-3)14(9-12)17(19)20/h4-9H,1-3H3
InChIKeyDJJKLKUXJXHIKX-UHFFFAOYSA-N
XLogP3.45
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
N-(4-methoxy-3-nitrophenyl)-2,4-dimethylbenzamide
CID 953258
1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
CID 3126152
(2,4,6-trimethylphenyl) 4-methoxy-3-nitrobenzoate
CID 8915402
[4-(2-methoxy-4-methylphenoxy)-3-nitrophenyl]-phenylmethanone
CID 9112236
N-[(2,4-dimethylphenyl)methyl]-4-methoxy-N-methyl-3-nitrobenzamide
CID 18117063
(4-methoxy-3-nitrophenyl)-(6-methyl-2-pyridinyl)methanone
CID 54170364
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-methoxy-3-nitrobenzoate
CID 2448007
(4-methoxy-3-nitrobenzoyl)carbamic acid;hydrochloride
CID 70634064
1-(4-methoxy-3-nitrophenyl)-2-(4-methylphenyl)sulfonylethanone
CID 974038
2-amino-1-(4-methoxy-3-nitrophenyl)ethanone
CID 7176072
(4-hydroxy-3-methoxy-5-nitrophenyl)-(2-methylphenyl)methanone
CID 21458993

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-(4-methoxy-3-nitrophenyl)methanone?
The IUPAC name of (2,4-dimethylphenyl)-(4-methoxy-3-nitrophenyl)methanone (CID 91678423) is (2,4-dimethylphenyl)-(4-methoxy-3-nitrophenyl)methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-(4-methoxy-3-nitrophenyl)methanone?
The canonical SMILES for (2,4-dimethylphenyl)-(4-methoxy-3-nitrophenyl)methanone is COc1ccc(C(=O)c2ccc(C)cc2C)cc1[N+](=O)[O-].
What is the InChIKey of (2,4-dimethylphenyl)-(4-methoxy-3-nitrophenyl)methanone?
The InChIKey is DJJKLKUXJXHIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-10-4-6-13(11(2)8-10)16(18)12-5-7-15(21-3)14(9-12)17(19)20/h4-9H,1-3H3.
What are the key properties of (2,4-dimethylphenyl)-(4-methoxy-3-nitrophenyl)methanone?
(2,4-dimethylphenyl)-(4-methoxy-3-nitrophenyl)methanone has a molecular weight of 285.30 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-(4-methoxy-3-nitrophenyl)methanone is sourced from PubChem (CID 91678423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).