2-methoxy-1-(5-methoxy-2-nitrophenyl)ethanone

C10H11NO5 — CID 21275738

IUPAC2-methoxy-1-(5-methoxy-2-nitrophenyl)ethanone
SMILESCOCC(=O)c1cc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H11NO5/c1-15-6-10(12)8-5-7(16-2)3-4-9(8)11(13)14/h3-5H,6H2,1-2H3
InChIKeyHBPUUGQPYGXKEJ-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.43
Rot. Bonds5

About 2-methoxy-1-(5-methoxy-2-nitrophenyl)ethanone

2-methoxy-1-(5-methoxy-2-nitrophenyl)ethanone (PubChem CID 21275738) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-methoxy-1-(5-methoxy-2-nitrophenyl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(5-methoxy-2-nitrophenyl)ethanone
PubChem CID21275738
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name2-methoxy-1-(5-methoxy-2-nitrophenyl)ethanone
SMILESCOCC(=O)c1cc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H11NO5/c1-15-6-10(12)8-5-7(16-2)3-4-9(8)11(13)14/h3-5H,6H2,1-2H3
InChIKeyHBPUUGQPYGXKEJ-UHFFFAOYSA-N
XLogP1.43
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.43
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

5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide
CID 131864696
4-methoxy-1-nitro-2-prop-1-en-2-ylbenzene
CID 53341761
N-[3-(5-methoxy-2-nitrophenyl)-3-oxopropyl]butanamide
CID 11680891
potassium 1-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-2-methoxyethanone
CID 70354724
N-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide
CID 47844867
2-(5-methoxy-2-nitrophenoxy)acetic acid
CID 91683018
1-(2,4-dimethoxyphenyl)-2-(5-methyl-2-nitrophenoxy)ethanone
CID 31885361
4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene
CID 12582438
5-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide
CID 47847255
3-[(5-methoxy-2-nitrobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 119249801
(2S)-2-[(5-methoxy-2-nitrobenzoyl)amino]propanoic acid
CID 119238250
ethane;5-methoxy-2-nitrophenol
CID 143133372

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(5-methoxy-2-nitrophenyl)ethanone?
The IUPAC name of 2-methoxy-1-(5-methoxy-2-nitrophenyl)ethanone (CID 21275738) is 2-methoxy-1-(5-methoxy-2-nitrophenyl)ethanone.
What is the SMILES notation for 2-methoxy-1-(5-methoxy-2-nitrophenyl)ethanone?
The canonical SMILES for 2-methoxy-1-(5-methoxy-2-nitrophenyl)ethanone is COCC(=O)c1cc(OC)ccc1[N+](=O)[O-].
What is the InChIKey of 2-methoxy-1-(5-methoxy-2-nitrophenyl)ethanone?
The InChIKey is HBPUUGQPYGXKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-15-6-10(12)8-5-7(16-2)3-4-9(8)11(13)14/h3-5H,6H2,1-2H3.
What are the key properties of 2-methoxy-1-(5-methoxy-2-nitrophenyl)ethanone?
2-methoxy-1-(5-methoxy-2-nitrophenyl)ethanone has a molecular weight of 225.20 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(5-methoxy-2-nitrophenyl)ethanone is sourced from PubChem (CID 21275738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).