1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanone

C15H13NO5 — CID 103201761

IUPAC1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanone
SMILESCOc1ccc(Oc2ccc(C(C)=O)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13NO5/c1-10(17)11-3-5-12(6-4-11)21-13-7-8-15(20-2)14(9-13)16(18)19/h3-9H,1-2H3
InChIKeyJMGGLARUJMZKQM-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.60
Rot. Bonds5

About 1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanone

1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanone (PubChem CID 103201761) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanone
PubChem CID103201761
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanone
SMILESCOc1ccc(Oc2ccc(C(C)=O)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13NO5/c1-10(17)11-3-5-12(6-4-11)21-13-7-8-15(20-2)14(9-13)16(18)19/h3-9H,1-2H3
InChIKeyJMGGLARUJMZKQM-UHFFFAOYSA-N
XLogP3.60
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.60
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

4-(4-methoxy-3-nitrophenoxy)benzoic acid
CID 103201557
1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanol
CID 103201806
4-(4-acetylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile
CID 962092
1-[4-(4-acetyl-2-methoxyphenoxy)-3-nitrophenyl]ethanone
CID 9112488
1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
CID 3126152
1-[4-(4-methylphenoxy)-3-nitrophenyl]ethanone
CID 9213139
1-(3-methoxy-4-nitrophenyl)ethanone
CID 11679990
4-(4-methoxy-3-nitrophenoxy)thiophene-2-carboxylic acid
CID 103201799
(3-acetylphenyl) 4-methoxy-3-nitrobenzoate
CID 7924231
1-[4-(4-bromo-5-fluoro-2-nitrophenoxy)phenyl]ethanone
CID 103483323
(4-methoxy-3-nitrophenyl) prop-2-enoate
CID 139661081
[4-(4-acetyloxy-2-nitrophenoxy)phenyl] acetate
CID 141129128

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanone?
The IUPAC name of 1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanone (CID 103201761) is 1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanone is COc1ccc(Oc2ccc(C(C)=O)cc2)cc1[N+](=O)[O-].
What is the InChIKey of 1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanone?
The InChIKey is JMGGLARUJMZKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-10(17)11-3-5-12(6-4-11)21-13-7-8-15(20-2)14(9-13)16(18)19/h3-9H,1-2H3.
What are the key properties of 1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanone?
1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanone has a molecular weight of 287.27 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanone is sourced from PubChem (CID 103201761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).