2-(2-bromoethoxy)-1-phenylpropan-1-one

C11H13BrO2 — CID 54435812

IUPAC2-(2-bromoethoxy)-1-phenylpropan-1-one
SMILESCC(OCCBr)C(=O)c1ccccc1
InChIInChI=1S/C11H13BrO2/c1-9(14-8-7-12)11(13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyWKQNJGSYPRMEOB-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.67
Rot. Bonds5

About 2-(2-bromoethoxy)-1-phenylpropan-1-one

2-(2-bromoethoxy)-1-phenylpropan-1-one (PubChem CID 54435812) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-(2-bromoethoxy)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-(2-bromoethoxy)-1-phenylpropan-1-one
PubChem CID54435812
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name2-(2-bromoethoxy)-1-phenylpropan-1-one
SMILESCC(OCCBr)C(=O)c1ccccc1
InChIInChI=1S/C11H13BrO2/c1-9(14-8-7-12)11(13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyWKQNJGSYPRMEOB-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-propoxypropan-1-one
CID 43801137
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-one
CID 112588356
(1-oxo-1-phenylpropan-2-yl) 2-bromoacetate
CID 121218288
2-[(4-bromophenyl)methoxy]-1-phenylpropan-1-one
CID 82826900
1-(4-methylphenyl)-2-(2-phenoxyethoxy)propan-1-one
CID 43798628
2-bromo-1-phenylpropan-1-one;ethane
CID 91095802
2-(1-ethoxyethoxy)-1-phenylpropan-1-one
CID 13311945
2-(2-benzyl-2-hydroxy-3-phenylpropoxy)-1-phenylpropan-1-one
CID 15163839
1-(2-bromoethoxy)ethylbenzene
CID 24688557
2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-phenylpropan-1-one
CID 62029303
3-bromo-2-methoxy-1-phenylpropan-1-one
CID 14063307
[(2R)-1-oxo-1-phenylpropan-2-yl] 2-oxo-2-phenylacetate
CID 139185945

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethoxy)-1-phenylpropan-1-one?
The IUPAC name of 2-(2-bromoethoxy)-1-phenylpropan-1-one (CID 54435812) is 2-(2-bromoethoxy)-1-phenylpropan-1-one.
What is the SMILES notation for 2-(2-bromoethoxy)-1-phenylpropan-1-one?
The canonical SMILES for 2-(2-bromoethoxy)-1-phenylpropan-1-one is CC(OCCBr)C(=O)c1ccccc1.
What is the InChIKey of 2-(2-bromoethoxy)-1-phenylpropan-1-one?
The InChIKey is WKQNJGSYPRMEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c1-9(14-8-7-12)11(13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3.
What are the key properties of 2-(2-bromoethoxy)-1-phenylpropan-1-one?
2-(2-bromoethoxy)-1-phenylpropan-1-one has a molecular weight of 257.13 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethoxy)-1-phenylpropan-1-one is sourced from PubChem (CID 54435812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).