2-(5-chloro-2-nitrophenoxy)-1-(2-methylphenyl)ethanone

C15H12ClNO4 — CID 48838174

IUPAC2-(5-chloro-2-nitrophenoxy)-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)COc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H12ClNO4/c1-10-4-2-3-5-12(10)14(18)9-21-15-8-11(16)6-7-13(15)17(19)20/h2-8H,9H2,1H3
InChIKeyYXGYTQAGNDTHJZ-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.82
Rot. Bonds5

About 2-(5-chloro-2-nitrophenoxy)-1-(2-methylphenyl)ethanone

2-(5-chloro-2-nitrophenoxy)-1-(2-methylphenyl)ethanone (PubChem CID 48838174) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is 2-(5-chloro-2-nitrophenoxy)-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(5-chloro-2-nitrophenoxy)-1-(2-methylphenyl)ethanone
PubChem CID48838174
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name2-(5-chloro-2-nitrophenoxy)-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)COc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H12ClNO4/c1-10-4-2-3-5-12(10)14(18)9-21-15-8-11(16)6-7-13(15)17(19)20/h2-8H,9H2,1H3
InChIKeyYXGYTQAGNDTHJZ-UHFFFAOYSA-N
XLogP3.82
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.82
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-(3-methyl-4-nitrophenoxy)-1-(2-methylphenyl)ethanone
CID 60973116
1-(2-methoxyphenyl)-2-(5-methyl-2-nitrophenoxy)ethanone
CID 31885320
1-[2-(5-chloro-2-nitrophenoxy)phenyl]propan-1-one
CID 115994733
2-(5-fluoro-2-nitrophenoxy)-1-(2-methoxyphenyl)ethanone
CID 8873297
2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanone
CID 60975454
1-(2-chlorophenyl)-2-(2-methyl-4-nitrophenoxy)ethanone
CID 115766252
2-(2,5-difluorophenoxy)-1-(2-methylphenyl)ethanone
CID 55169275
4-(5-chloro-2-nitrophenoxy)butan-2-one
CID 62306218
4-chloro-2-(chloromethoxy)-1-nitrobenzene
CID 79529891
4-chloro-1-nitro-2-(2-phenoxyethoxy)benzene
CID 78976905
1-(2,5-dimethylthiophen-3-yl)-2-(5-methyl-2-nitrophenoxy)ethanone
CID 27545915
2-(4-chloro-2-methylphenoxy)-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]acetamide
CID 9317103

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-nitrophenoxy)-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-(5-chloro-2-nitrophenoxy)-1-(2-methylphenyl)ethanone (CID 48838174) is 2-(5-chloro-2-nitrophenoxy)-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-(5-chloro-2-nitrophenoxy)-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-(5-chloro-2-nitrophenoxy)-1-(2-methylphenyl)ethanone is Cc1ccccc1C(=O)COc1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(5-chloro-2-nitrophenoxy)-1-(2-methylphenyl)ethanone?
The InChIKey is YXGYTQAGNDTHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c1-10-4-2-3-5-12(10)14(18)9-21-15-8-11(16)6-7-13(15)17(19)20/h2-8H,9H2,1H3.
What are the key properties of 2-(5-chloro-2-nitrophenoxy)-1-(2-methylphenyl)ethanone?
2-(5-chloro-2-nitrophenoxy)-1-(2-methylphenyl)ethanone has a molecular weight of 305.72 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-nitrophenoxy)-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 48838174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).