1-(2-methoxyphenyl)-2-(5-methyl-2-nitrophenoxy)ethanone

C16H15NO5 — CID 31885320

IUPAC1-(2-methoxyphenyl)-2-(5-methyl-2-nitrophenoxy)ethanone
SMILESCOc1ccccc1C(=O)COc1cc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H15NO5/c1-11-7-8-13(17(19)20)16(9-11)22-10-14(18)12-5-3-4-6-15(12)21-2/h3-9H,10H2,1-2H3
InChIKeyJJKFKVWFHIXXEL-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.17
Rot. Bonds6

About 1-(2-methoxyphenyl)-2-(5-methyl-2-nitrophenoxy)ethanone

1-(2-methoxyphenyl)-2-(5-methyl-2-nitrophenoxy)ethanone (PubChem CID 31885320) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-(5-methyl-2-nitrophenoxy)ethanone.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-(5-methyl-2-nitrophenoxy)ethanone
PubChem CID31885320
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name1-(2-methoxyphenyl)-2-(5-methyl-2-nitrophenoxy)ethanone
SMILESCOc1ccccc1C(=O)COc1cc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H15NO5/c1-11-7-8-13(17(19)20)16(9-11)22-10-14(18)12-5-3-4-6-15(12)21-2/h3-9H,10H2,1-2H3
InChIKeyJJKFKVWFHIXXEL-UHFFFAOYSA-N
XLogP3.17
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.17
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-(5-fluoro-2-nitrophenoxy)-1-(2-methoxyphenyl)ethanone
CID 8873297
1-(2,4-dimethoxyphenyl)-2-(5-methyl-2-nitrophenoxy)ethanone
CID 31885361
1-(2,5-dimethylthiophen-3-yl)-2-(5-methyl-2-nitrophenoxy)ethanone
CID 27545915
2-(5-chloro-2-nitrophenoxy)-1-(2-methylphenyl)ethanone
CID 48838174
1-(2-bromophenyl)-2-(4-methyl-2-nitrophenoxy)ethanone
CID 60657012
2-(2-iodophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
CID 62032361
1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-(5-methyl-2-nitrophenoxy)ethanone
CID 51184943
1-(2-methyl-1H-indol-3-yl)-2-(5-methyl-2-nitrophenoxy)ethanone
CID 31885342
1-(4-ethoxyphenyl)-2-(5-methyl-2-nitrophenoxy)ethanone
CID 31885400
2-(3-methyl-4-nitrophenoxy)-1-(2-methylphenyl)ethanone
CID 60973116
1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanone
CID 62504743
2-[2-(2-methoxyphenyl)-2-oxoethoxy]benzamide
CID 43218560

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-(5-methyl-2-nitrophenoxy)ethanone?
The IUPAC name of 1-(2-methoxyphenyl)-2-(5-methyl-2-nitrophenoxy)ethanone (CID 31885320) is 1-(2-methoxyphenyl)-2-(5-methyl-2-nitrophenoxy)ethanone.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-(5-methyl-2-nitrophenoxy)ethanone?
The canonical SMILES for 1-(2-methoxyphenyl)-2-(5-methyl-2-nitrophenoxy)ethanone is COc1ccccc1C(=O)COc1cc(C)ccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-methoxyphenyl)-2-(5-methyl-2-nitrophenoxy)ethanone?
The InChIKey is JJKFKVWFHIXXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-11-7-8-13(17(19)20)16(9-11)22-10-14(18)12-5-3-4-6-15(12)21-2/h3-9H,10H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-2-(5-methyl-2-nitrophenoxy)ethanone?
1-(2-methoxyphenyl)-2-(5-methyl-2-nitrophenoxy)ethanone has a molecular weight of 301.30 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-(5-methyl-2-nitrophenoxy)ethanone is sourced from PubChem (CID 31885320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).