2-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)ethanone

C16H15NO4 — CID 61079905

IUPAC2-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C16H15NO4/c1-11-7-8-12(9-14(11)17(19)20)15(18)10-13-5-3-4-6-16(13)21-2/h3-9H,10H2,1-2H3
InChIKeyJEWCWQPISWNHFG-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.34
Rot. Bonds5

About 2-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)ethanone

2-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)ethanone (PubChem CID 61079905) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)ethanone
PubChem CID61079905
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C16H15NO4/c1-11-7-8-12(9-14(11)17(19)20)15(18)10-13-5-3-4-6-16(13)21-2/h3-9H,10H2,1-2H3
InChIKeyJEWCWQPISWNHFG-UHFFFAOYSA-N
XLogP3.34
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.34
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-(2-methoxyphenyl)-1-(3-methyl-4-nitrophenyl)ethanone
CID 61079721
N-[(2-methoxyphenyl)methyl]-N,4-dimethyl-3-nitrobenzamide
CID 27824435
[[1-amino-2-(2-methoxyphenyl)ethylidene]amino] 4-methyl-3-nitrobenzoate
CID 2880644
1-(3,4-dimethylphenyl)-2-(2-nitrophenyl)ethanone
CID 61055483
2-(2-methoxyphenyl)-1-(4-nitrophenyl)ethanone
CID 61079159
2-(2-chlorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone
CID 61056876
2-(2-fluorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone
CID 61077891
(5R)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 7565766
1-(4-methyl-3-nitrophenyl)-3-phenylpropane-1,3-dione
CID 43138906
1-(4-methyl-3-nitrophenyl)propan-1-one
CID 23244249
N-[2-(2-methoxyphenyl)ethyl]-4-methyl-3,5-dinitrobenzamide
CID 27756991
N-[4-(2-methoxyphenoxy)but-2-ynyl]-4-methyl-3-nitrobenzamide
CID 90575574

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)ethanone (CID 61079905) is 2-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)ethanone is COc1ccccc1CC(=O)c1ccc(C)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)ethanone?
The InChIKey is JEWCWQPISWNHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-11-7-8-12(9-14(11)17(19)20)15(18)10-13-5-3-4-6-16(13)21-2/h3-9H,10H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)ethanone?
2-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)ethanone has a molecular weight of 285.30 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)ethanone is sourced from PubChem (CID 61079905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).