1-(2-bromophenyl)-2-ethoxyethanone

C10H11BrO2 — CID 43799585

IUPAC1-(2-bromophenyl)-2-ethoxyethanone
SMILESCCOCC(=O)c1ccccc1Br
InChIInChI=1S/C10H11BrO2/c1-2-13-7-10(12)8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3
InChIKeyDECNURKFMMCJHM-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.67
Rot. Bonds4

About 1-(2-bromophenyl)-2-ethoxyethanone

1-(2-bromophenyl)-2-ethoxyethanone (PubChem CID 43799585) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-ethoxyethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-ethoxyethanone
PubChem CID43799585
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name1-(2-bromophenyl)-2-ethoxyethanone
SMILESCCOCC(=O)c1ccccc1Br
InChIInChI=1S/C10H11BrO2/c1-2-13-7-10(12)8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3
InChIKeyDECNURKFMMCJHM-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-2-octoxyethanone
CID 43800732
1-(2-bromophenyl)-2-(2-methylbutan-2-yloxy)ethanone
CID 43800571
1-[2-(2-ethoxyacetyl)phenyl]-2-phenylethane-1,2-dione
CID 141052771
1-(2-bromophenyl)-2-(2-ethylphenoxy)ethanone
CID 43412397
1-(2-bromophenyl)-2-[2-ethoxyethyl(methyl)amino]ethanone
CID 81057820
2-(2-bromophenoxy)-1-(2-bromophenyl)ethanone
CID 60623805
1-(2-bromophenyl)-2-(2-cyclopropylethoxy)ethanone
CID 106203157
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522
1-(2-bromo-6-fluorophenyl)-2-ethoxyethanone
CID 114885507
[2-(2-bromophenyl)-2-oxoethyl] (2S)-2-phenylbutanoate
CID 2359880
2-[(2-bromophenyl)methoxy]-1-(2-fluorophenyl)ethanone
CID 82826611
1-(2-bromophenyl)-3,3-dimethylbutan-1-one
CID 71135058

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-ethoxyethanone?
The IUPAC name of 1-(2-bromophenyl)-2-ethoxyethanone (CID 43799585) is 1-(2-bromophenyl)-2-ethoxyethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-ethoxyethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-ethoxyethanone is CCOCC(=O)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-ethoxyethanone?
The InChIKey is DECNURKFMMCJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-2-13-7-10(12)8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3.
What are the key properties of 1-(2-bromophenyl)-2-ethoxyethanone?
1-(2-bromophenyl)-2-ethoxyethanone has a molecular weight of 243.10 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-ethoxyethanone is sourced from PubChem (CID 43799585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).