1-[2-(3-methoxyphenoxy)-5-nitrophenyl]ethanone

C15H13NO5 — CID 62873224

IUPAC1-[2-(3-methoxyphenoxy)-5-nitrophenyl]ethanone
SMILESCOc1cccc(Oc2ccc([N+](=O)[O-])cc2C(C)=O)c1
InChIInChI=1S/C15H13NO5/c1-10(17)14-8-11(16(18)19)6-7-15(14)21-13-5-3-4-12(9-13)20-2/h3-9H,1-2H3
InChIKeyOYLNPIWJEQKNIA-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.60
Rot. Bonds5

About 1-[2-(3-methoxyphenoxy)-5-nitrophenyl]ethanone

1-[2-(3-methoxyphenoxy)-5-nitrophenyl]ethanone (PubChem CID 62873224) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenoxy)-5-nitrophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(3-methoxyphenoxy)-5-nitrophenyl]ethanone
PubChem CID62873224
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name1-[2-(3-methoxyphenoxy)-5-nitrophenyl]ethanone
SMILESCOc1cccc(Oc2ccc([N+](=O)[O-])cc2C(C)=O)c1
InChIInChI=1S/C15H13NO5/c1-10(17)14-8-11(16(18)19)6-7-15(14)21-13-5-3-4-12(9-13)20-2/h3-9H,1-2H3
InChIKeyOYLNPIWJEQKNIA-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

1-[2-(4-chlorophenoxy)-5-nitrophenyl]ethanone
CID 62873585
1-[2-(4-bromo-3-methylphenoxy)-5-nitrophenyl]ethanone
CID 83136228
1-[5-hydroxy-2-(4-nitrophenoxy)phenyl]ethanone
CID 24763777
1-[2-(2-bromophenoxy)-5-nitrophenyl]ethanone
CID 62871575
1-[3-(2-fluoro-4-nitrophenoxy)phenyl]ethanone
CID 47184501
1-[2-(2-methoxyethoxy)-5-nitrophenyl]ethanone
CID 62872855
5-nitro-2-phenoxybenzoyl chloride
CID 21406549
1-[2-(4-nitrophenoxy)phenyl]ethanone
CID 7040232
1-[2-(2-bromo-4-methylphenoxy)-5-nitrophenyl]ethanone
CID 62871942
1-[5-nitro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanone
CID 116801632
(3-methoxyphenyl) (4-nitrophenyl) carbonate
CID 67038917
1-[2-(3-methoxypropoxy)-5-nitrophenyl]ethanone
CID 62873760

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenoxy)-5-nitrophenyl]ethanone?
The IUPAC name of 1-[2-(3-methoxyphenoxy)-5-nitrophenyl]ethanone (CID 62873224) is 1-[2-(3-methoxyphenoxy)-5-nitrophenyl]ethanone.
What is the SMILES notation for 1-[2-(3-methoxyphenoxy)-5-nitrophenyl]ethanone?
The canonical SMILES for 1-[2-(3-methoxyphenoxy)-5-nitrophenyl]ethanone is COc1cccc(Oc2ccc([N+](=O)[O-])cc2C(C)=O)c1.
What is the InChIKey of 1-[2-(3-methoxyphenoxy)-5-nitrophenyl]ethanone?
The InChIKey is OYLNPIWJEQKNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-10(17)14-8-11(16(18)19)6-7-15(14)21-13-5-3-4-12(9-13)20-2/h3-9H,1-2H3.
What are the key properties of 1-[2-(3-methoxyphenoxy)-5-nitrophenyl]ethanone?
1-[2-(3-methoxyphenoxy)-5-nitrophenyl]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-[2-(3-methoxyphenoxy)-5-nitrophenyl]ethanone is sourced from PubChem (CID 62873224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).