2-(3-methyl-4-nitrophenoxy)-1-(2-methylphenyl)ethanone

C16H15NO4 — CID 60973116

IUPAC2-(3-methyl-4-nitrophenoxy)-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)COc1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C16H15NO4/c1-11-5-3-4-6-14(11)16(18)10-21-13-7-8-15(17(19)20)12(2)9-13/h3-9H,10H2,1-2H3
InChIKeyPXNWEBLWSAWALD-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.47
Rot. Bonds5

About 2-(3-methyl-4-nitrophenoxy)-1-(2-methylphenyl)ethanone

2-(3-methyl-4-nitrophenoxy)-1-(2-methylphenyl)ethanone (PubChem CID 60973116) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(3-methyl-4-nitrophenoxy)-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-methyl-4-nitrophenoxy)-1-(2-methylphenyl)ethanone
PubChem CID60973116
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-(3-methyl-4-nitrophenoxy)-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)COc1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C16H15NO4/c1-11-5-3-4-6-14(11)16(18)10-21-13-7-8-15(17(19)20)12(2)9-13/h3-9H,10H2,1-2H3
InChIKeyPXNWEBLWSAWALD-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
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)-N-[(2-methylphenyl)methyl]acetamide
CID 51216495
2-(5-chloro-2-nitrophenoxy)-1-(2-methylphenyl)ethanone
CID 48838174
2-(3-methyl-4-nitrophenoxy)acetohydrazide
CID 2063569
N-tert-butyl-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406792
2-(4-chloro-3-ethylphenoxy)-1-(2-methylphenyl)ethanone
CID 63567105
1-(2-methoxyphenyl)-2-(5-methyl-2-nitrophenoxy)ethanone
CID 31885320
(3-methyl-4-nitrophenyl)-(2-methylphenyl)methanone
CID 11391183
2-(3-methyl-4-nitrophenoxy)-N-(3-phenylsulfanylpropyl)acetamide
CID 8648025
N,N-bis(2-cyanoethyl)-2-(3-methyl-4-nitrophenoxy)acetamide
CID 31880497
N-[(2-fluorophenyl)methyl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 8648197
2-methyl-1-nitro-4-(2-phenylethoxy)benzene
CID 15295878
3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]propanoic acid
CID 53264025

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-nitrophenoxy)-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-(3-methyl-4-nitrophenoxy)-1-(2-methylphenyl)ethanone (CID 60973116) is 2-(3-methyl-4-nitrophenoxy)-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-(3-methyl-4-nitrophenoxy)-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-(3-methyl-4-nitrophenoxy)-1-(2-methylphenyl)ethanone is Cc1ccccc1C(=O)COc1ccc([N+](=O)[O-])c(C)c1.
What is the InChIKey of 2-(3-methyl-4-nitrophenoxy)-1-(2-methylphenyl)ethanone?
The InChIKey is PXNWEBLWSAWALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-11-5-3-4-6-14(11)16(18)10-21-13-7-8-15(17(19)20)12(2)9-13/h3-9H,10H2,1-2H3.
What are the key properties of 2-(3-methyl-4-nitrophenoxy)-1-(2-methylphenyl)ethanone?
2-(3-methyl-4-nitrophenoxy)-1-(2-methylphenyl)ethanone has a molecular weight of 285.30 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-nitrophenoxy)-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 60973116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).