2-(2-bromo-5-nitrophenoxy)-1-cyclopropylethanone

C11H10BrNO4 — CID 102975123

IUPAC2-(2-bromo-5-nitrophenoxy)-1-cyclopropylethanone
SMILESO=C(COc1cc([N+](=O)[O-])ccc1Br)C1CC1
InChIInChI=1S/C11H10BrNO4/c12-9-4-3-8(13(15)16)5-11(9)17-6-10(14)7-1-2-7/h3-5,7H,1-2,6H2
InChIKeySDLMPHBJCBKWDC-UHFFFAOYSA-N
MW300.11 g/mol
LogP2.72
Rot. Bonds5

About 2-(2-bromo-5-nitrophenoxy)-1-cyclopropylethanone

2-(2-bromo-5-nitrophenoxy)-1-cyclopropylethanone (PubChem CID 102975123) has the molecular formula C11H10BrNO4 and a molecular weight of 300.11 g/mol. Its IUPAC name is 2-(2-bromo-5-nitrophenoxy)-1-cyclopropylethanone.

Molecular Properties

Compound Name2-(2-bromo-5-nitrophenoxy)-1-cyclopropylethanone
PubChem CID102975123
Molecular FormulaC11H10BrNO4
Molecular Weight300.11 g/mol
Exact Mass298.98
IUPAC Name2-(2-bromo-5-nitrophenoxy)-1-cyclopropylethanone
SMILESO=C(COc1cc([N+](=O)[O-])ccc1Br)C1CC1
InChIInChI=1S/C11H10BrNO4/c12-9-4-3-8(13(15)16)5-11(9)17-6-10(14)7-1-2-7/h3-5,7H,1-2,6H2
InChIKeySDLMPHBJCBKWDC-UHFFFAOYSA-N
XLogP2.72
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 52.72
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-cyclopropyl-2-(2-fluoro-4-nitrophenoxy)ethanone
CID 63903842
1-cyclopropyl-2-(2,6-dibromo-4-nitrophenoxy)ethanone
CID 63906260
1-cyclopentyl-2-(2-methoxy-5-nitrophenoxy)ethanone
CID 115648605
1-bromo-2-(2-methylidenebutoxy)-4-nitrobenzene
CID 102975219
3-(2-bromo-5-nitrophenoxy)-2-cyclopropyl-2-(methylamino)propanoic acid
CID 103012475
2-(2-bromo-5-nitrophenoxy)-N-prop-2-ynylacetamide
CID 102975254
1-cyclopentyl-2-(2,6-dibromo-4-nitrophenoxy)ethanone
CID 104751996
1-[2-(2-bromo-5-nitrophenoxy)acetyl]piperidin-4-one
CID 103011041
1-(2-bromo-5-nitrophenoxy)-2-methylpropan-2-ol
CID 102977775
5-(2-bromo-5-nitrophenoxy)pentan-1-ol
CID 102975174
2-(2-bromo-5-nitrophenoxy)-1-(3-bromothiophen-2-yl)ethanone
CID 102975127
3-(2-bromo-5-nitrophenoxy)-2-(cyclopropylamino)-2-methylpropanoic acid
CID 103012238

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-nitrophenoxy)-1-cyclopropylethanone?
The IUPAC name of 2-(2-bromo-5-nitrophenoxy)-1-cyclopropylethanone (CID 102975123) is 2-(2-bromo-5-nitrophenoxy)-1-cyclopropylethanone.
What is the SMILES notation for 2-(2-bromo-5-nitrophenoxy)-1-cyclopropylethanone?
The canonical SMILES for 2-(2-bromo-5-nitrophenoxy)-1-cyclopropylethanone is O=C(COc1cc([N+](=O)[O-])ccc1Br)C1CC1.
What is the InChIKey of 2-(2-bromo-5-nitrophenoxy)-1-cyclopropylethanone?
The InChIKey is SDLMPHBJCBKWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO4/c12-9-4-3-8(13(15)16)5-11(9)17-6-10(14)7-1-2-7/h3-5,7H,1-2,6H2.
What are the key properties of 2-(2-bromo-5-nitrophenoxy)-1-cyclopropylethanone?
2-(2-bromo-5-nitrophenoxy)-1-cyclopropylethanone has a molecular weight of 300.11 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-nitrophenoxy)-1-cyclopropylethanone is sourced from PubChem (CID 102975123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).