1-(2,4-dibromophenoxy)butan-2-one

C10H10Br2O2 — CID 62038524

IUPAC1-(2,4-dibromophenoxy)butan-2-one
SMILESCCC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C10H10Br2O2/c1-2-8(13)6-14-10-4-3-7(11)5-9(10)12/h3-5H,2,6H2,1H3
InChIKeyBUCYDGBSERWOLE-UHFFFAOYSA-N
MW322.00 g/mol
LogP3.57
Rot. Bonds4

About 1-(2,4-dibromophenoxy)butan-2-one

1-(2,4-dibromophenoxy)butan-2-one (PubChem CID 62038524) has the molecular formula C10H10Br2O2 and a molecular weight of 322.00 g/mol. Its IUPAC name is 1-(2,4-dibromophenoxy)butan-2-one.

Molecular Properties

Compound Name1-(2,4-dibromophenoxy)butan-2-one
PubChem CID62038524
Molecular FormulaC10H10Br2O2
Molecular Weight322.00 g/mol
Exact Mass319.90
IUPAC Name1-(2,4-dibromophenoxy)butan-2-one
SMILESCCC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C10H10Br2O2/c1-2-8(13)6-14-10-4-3-7(11)5-9(10)12/h3-5H,2,6H2,1H3
InChIKeyBUCYDGBSERWOLE-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.00
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-methylphenoxy)butan-2-one
CID 62040640
6-(2,4-dibromophenoxy)hexan-3-one
CID 106802046
2-(2,4-dibromophenoxy)-N-methoxyacetamide
CID 33099382
2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6123990
2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone
CID 5163017
5-bromo-2-[2-(2,4-dibromophenoxy)acetyl]oxybenzoic acid
CID 54854409
5-bromo-N'-[2-(2,4-dibromophenoxy)acetyl]-2-ethoxybenzohydrazide
CID 17353057
(2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid
CID 54991092
2-(2,4-dibromophenoxy)-N,N-bis(2-hydroxyethyl)acetamide
CID 60655130
[(1R)-1-cyanoethyl] 2-(2,4-dibromophenoxy)acetate
CID 7992560
3-(2,4-dibromophenoxy)-2-methylpropanoic acid
CID 43538016
2-[[2-(2,4-dibromophenoxy)acetyl]amino]oxyacetic acid
CID 60668042

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenoxy)butan-2-one?
The IUPAC name of 1-(2,4-dibromophenoxy)butan-2-one (CID 62038524) is 1-(2,4-dibromophenoxy)butan-2-one.
What is the SMILES notation for 1-(2,4-dibromophenoxy)butan-2-one?
The canonical SMILES for 1-(2,4-dibromophenoxy)butan-2-one is CCC(=O)COc1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenoxy)butan-2-one?
The InChIKey is BUCYDGBSERWOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O2/c1-2-8(13)6-14-10-4-3-7(11)5-9(10)12/h3-5H,2,6H2,1H3.
What are the key properties of 1-(2,4-dibromophenoxy)butan-2-one?
1-(2,4-dibromophenoxy)butan-2-one has a molecular weight of 322.00 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenoxy)butan-2-one is sourced from PubChem (CID 62038524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).