1-[4-(2-ethylphenoxy)-3-nitrophenyl]ethanone

C16H15NO4 — CID 9282374

IUPAC1-[4-(2-ethylphenoxy)-3-nitrophenyl]ethanone
SMILESCCc1ccccc1Oc1ccc(C(C)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15NO4/c1-3-12-6-4-5-7-15(12)21-16-9-8-13(11(2)18)10-14(16)17(19)20/h4-10H,3H2,1-2H3
InChIKeyJALYSRSXKRFQBV-UHFFFAOYSA-N
MW285.30 g/mol
LogP4.15
Rot. Bonds5

About 1-[4-(2-ethylphenoxy)-3-nitrophenyl]ethanone

1-[4-(2-ethylphenoxy)-3-nitrophenyl]ethanone (PubChem CID 9282374) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-[4-(2-ethylphenoxy)-3-nitrophenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-ethylphenoxy)-3-nitrophenyl]ethanone
PubChem CID9282374
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name1-[4-(2-ethylphenoxy)-3-nitrophenyl]ethanone
SMILESCCc1ccccc1Oc1ccc(C(C)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15NO4/c1-3-12-6-4-5-7-15(12)21-16-9-8-13(11(2)18)10-14(16)17(19)20/h4-10H,3H2,1-2H3
InChIKeyJALYSRSXKRFQBV-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
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-nitro-4-(2-nitrophenoxy)phenyl]ethanone
CID 9279079
1-[4-(2-chlorophenoxy)-3-nitrophenyl]ethanone
CID 9212979
2-(4-acetyl-2-nitrophenoxy)benzamide
CID 9251324
1-[4-(4-acetyl-2-methoxyphenoxy)-3-nitrophenyl]ethanone
CID 9112488
2-[(4-acetyl-2-nitrophenoxy)methyl]benzonitrile
CID 122143691
4-(4-acetyl-2-nitrophenoxy)-3-nitrobenzenesulfonamide
CID 33381315
1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanone
CID 62368694
3-nitro-4-(2-prop-2-enylphenoxy)benzamide
CID 9196142
1-[4-(4-methylphenoxy)-3-nitrophenyl]ethanone
CID 9213139
[2-(4-methyl-2-nitrophenoxy)phenyl]methanol
CID 61311271
1-[4-(3-iodophenoxy)-3-nitrophenyl]ethanone
CID 9112145
[4-[2-(hydroxymethyl)phenoxy]-3-nitrophenyl]methanol
CID 63653967

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethylphenoxy)-3-nitrophenyl]ethanone?
The IUPAC name of 1-[4-(2-ethylphenoxy)-3-nitrophenyl]ethanone (CID 9282374) is 1-[4-(2-ethylphenoxy)-3-nitrophenyl]ethanone.
What is the SMILES notation for 1-[4-(2-ethylphenoxy)-3-nitrophenyl]ethanone?
The canonical SMILES for 1-[4-(2-ethylphenoxy)-3-nitrophenyl]ethanone is CCc1ccccc1Oc1ccc(C(C)=O)cc1[N+](=O)[O-].
What is the InChIKey of 1-[4-(2-ethylphenoxy)-3-nitrophenyl]ethanone?
The InChIKey is JALYSRSXKRFQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-3-12-6-4-5-7-15(12)21-16-9-8-13(11(2)18)10-14(16)17(19)20/h4-10H,3H2,1-2H3.
What are the key properties of 1-[4-(2-ethylphenoxy)-3-nitrophenyl]ethanone?
1-[4-(2-ethylphenoxy)-3-nitrophenyl]ethanone has a molecular weight of 285.30 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethylphenoxy)-3-nitrophenyl]ethanone is sourced from PubChem (CID 9282374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).