2-(2-methoxy-4-nitrophenoxy)-1-phenylethanone

C15H13NO5 — CID 60606157

IUPAC2-(2-methoxy-4-nitrophenoxy)-1-phenylethanone
SMILESCOc1cc([N+](=O)[O-])ccc1OCC(=O)c1ccccc1
InChIInChI=1S/C15H13NO5/c1-20-15-9-12(16(18)19)7-8-14(15)21-10-13(17)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyYWRRKJIHPQXVMG-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.87
Rot. Bonds6

About 2-(2-methoxy-4-nitrophenoxy)-1-phenylethanone

2-(2-methoxy-4-nitrophenoxy)-1-phenylethanone (PubChem CID 60606157) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-(2-methoxy-4-nitrophenoxy)-1-phenylethanone.

Molecular Properties

Compound Name2-(2-methoxy-4-nitrophenoxy)-1-phenylethanone
PubChem CID60606157
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name2-(2-methoxy-4-nitrophenoxy)-1-phenylethanone
SMILESCOc1cc([N+](=O)[O-])ccc1OCC(=O)c1ccccc1
InChIInChI=1S/C15H13NO5/c1-20-15-9-12(16(18)19)7-8-14(15)21-10-13(17)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyYWRRKJIHPQXVMG-UHFFFAOYSA-N
XLogP2.87
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.87
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-(furan-2-yl)-2-(2-methoxy-4-nitrophenoxy)ethanone
CID 62109954
3-methoxy-4-[2-(4-nitrophenyl)-2-oxoethoxy]benzaldehyde
CID 2374279
2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone
CID 60627046
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenoxy)ethanone
CID 8608308
tert-butyl 2-(2-methoxy-4-nitrophenoxy)acetate
CID 58858118
2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931860
(NE)-N-[1-(2-methoxy-4-nitrophenoxy)propan-2-ylidene]hydroxylamine
CID 134096596
3-(2-methyl-5-nitrophenoxy)-1-phenylpropan-1-one
CID 116692074
1-(4-iodophenyl)-2-(2-methyl-5-nitrophenoxy)ethanone
CID 60778673
3-(3-methoxy-4-phenacyloxyphenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 3142322
N-(2-methoxy-4-nitrophenyl)-2-(2-methoxyphenoxy)acetamide
CID 7720081
2-methoxy-4-nitro-1-propoxybenzene
CID 131858212

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-nitrophenoxy)-1-phenylethanone?
The IUPAC name of 2-(2-methoxy-4-nitrophenoxy)-1-phenylethanone (CID 60606157) is 2-(2-methoxy-4-nitrophenoxy)-1-phenylethanone.
What is the SMILES notation for 2-(2-methoxy-4-nitrophenoxy)-1-phenylethanone?
The canonical SMILES for 2-(2-methoxy-4-nitrophenoxy)-1-phenylethanone is COc1cc([N+](=O)[O-])ccc1OCC(=O)c1ccccc1.
What is the InChIKey of 2-(2-methoxy-4-nitrophenoxy)-1-phenylethanone?
The InChIKey is YWRRKJIHPQXVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-20-15-9-12(16(18)19)7-8-14(15)21-10-13(17)11-5-3-2-4-6-11/h2-9H,10H2,1H3.
What are the key properties of 2-(2-methoxy-4-nitrophenoxy)-1-phenylethanone?
2-(2-methoxy-4-nitrophenoxy)-1-phenylethanone has a molecular weight of 287.27 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-nitrophenoxy)-1-phenylethanone is sourced from PubChem (CID 60606157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).