1-(2-chlorophenyl)-2-(2-methyl-4-nitrophenoxy)ethanone

C15H12ClNO4 — CID 115766252

IUPAC1-(2-chlorophenyl)-2-(2-methyl-4-nitrophenoxy)ethanone
SMILESCc1cc([N+](=O)[O-])ccc1OCC(=O)c1ccccc1Cl
InChIInChI=1S/C15H12ClNO4/c1-10-8-11(17(19)20)6-7-15(10)21-9-14(18)12-4-2-3-5-13(12)16/h2-8H,9H2,1H3
InChIKeyGIGOOEBPUKYXHN-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.82
Rot. Bonds5

About 1-(2-chlorophenyl)-2-(2-methyl-4-nitrophenoxy)ethanone

1-(2-chlorophenyl)-2-(2-methyl-4-nitrophenoxy)ethanone (PubChem CID 115766252) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(2-methyl-4-nitrophenoxy)ethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(2-methyl-4-nitrophenoxy)ethanone
PubChem CID115766252
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name1-(2-chlorophenyl)-2-(2-methyl-4-nitrophenoxy)ethanone
SMILESCc1cc([N+](=O)[O-])ccc1OCC(=O)c1ccccc1Cl
InChIInChI=1S/C15H12ClNO4/c1-10-8-11(17(19)20)6-7-15(10)21-9-14(18)12-4-2-3-5-13(12)16/h2-8H,9H2,1H3
InChIKeyGIGOOEBPUKYXHN-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

1-(3-bromothiophen-2-yl)-2-(2-methyl-4-nitrophenoxy)ethanone
CID 115766248
2-chloro-N'-[2-(2-methylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 3526771
N-tert-butyl-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406582
2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 19237183
2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19237188
2-(5-chloro-2-nitrophenoxy)-1-(2-methylphenyl)ethanone
CID 48838174
methyl 2-[2-(2-chlorophenyl)-4-nitrophenoxy]acetate
CID 165352732
1-(2,5-dimethylphenyl)-2-(2-methoxy-5-nitrophenoxy)ethanone
CID 40602594
2-[(2-methyl-4-nitrophenoxy)methyl]pyrimidine
CID 162519965
N-(3-chloro-4-methylphenyl)-2-[2-(4-nitrophenyl)-2-oxoethoxy]benzamide
CID 1328732
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406721
2-(2-methoxy-4-nitrophenoxy)-1-phenylethanone
CID 60606157

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(2-methyl-4-nitrophenoxy)ethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-(2-methyl-4-nitrophenoxy)ethanone (CID 115766252) is 1-(2-chlorophenyl)-2-(2-methyl-4-nitrophenoxy)ethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(2-methyl-4-nitrophenoxy)ethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-(2-methyl-4-nitrophenoxy)ethanone is Cc1cc([N+](=O)[O-])ccc1OCC(=O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(2-methyl-4-nitrophenoxy)ethanone?
The InChIKey is GIGOOEBPUKYXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c1-10-8-11(17(19)20)6-7-15(10)21-9-14(18)12-4-2-3-5-13(12)16/h2-8H,9H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-(2-methyl-4-nitrophenoxy)ethanone?
1-(2-chlorophenyl)-2-(2-methyl-4-nitrophenoxy)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 1-(2-chlorophenyl)-2-(2-methyl-4-nitrophenoxy)ethanone is sourced from PubChem (CID 115766252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).