3-(2-bromo-4-chlorophenoxy)butan-2-one

C10H10BrClO2 — CID 60626588

IUPAC3-(2-bromo-4-chlorophenoxy)butan-2-one
SMILESCC(=O)C(C)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C10H10BrClO2/c1-6(13)7(2)14-10-4-3-8(12)5-9(10)11/h3-5,7H,1-2H3
InChIKeyWAPMORVJQMOFGA-UHFFFAOYSA-N
MW277.55 g/mol
LogP3.46
Rot. Bonds3

About 3-(2-bromo-4-chlorophenoxy)butan-2-one

3-(2-bromo-4-chlorophenoxy)butan-2-one (PubChem CID 60626588) has the molecular formula C10H10BrClO2 and a molecular weight of 277.55 g/mol. Its IUPAC name is 3-(2-bromo-4-chlorophenoxy)butan-2-one.

Molecular Properties

Compound Name3-(2-bromo-4-chlorophenoxy)butan-2-one
PubChem CID60626588
Molecular FormulaC10H10BrClO2
Molecular Weight277.55 g/mol
Exact Mass275.96
IUPAC Name3-(2-bromo-4-chlorophenoxy)butan-2-one
SMILESCC(=O)C(C)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C10H10BrClO2/c1-6(13)7(2)14-10-4-3-8(12)5-9(10)11/h3-5,7H,1-2H3
InChIKeyWAPMORVJQMOFGA-UHFFFAOYSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-chlorophenoxy)propanoyl chloride
CID 88743448
methyl 2-(2-bromo-4-chlorophenoxy)propanoate
CID 20526233
(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
CID 40773106
2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide
CID 3901807
2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propanoic acid
CID 43170814
2-(2-bromo-4-chlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 60626656
methyl 2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propanoate
CID 60727143
methyl 3-bromo-4-(3-oxobutan-2-yloxy)benzoate
CID 139560138
(3R)-3-(2-bromo-4-chlorophenoxy)butanoic acid
CID 103547713
2-(2-bromo-4-chlorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43417581
2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 115283555
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide
CID 43080396

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-chlorophenoxy)butan-2-one?
The IUPAC name of 3-(2-bromo-4-chlorophenoxy)butan-2-one (CID 60626588) is 3-(2-bromo-4-chlorophenoxy)butan-2-one.
What is the SMILES notation for 3-(2-bromo-4-chlorophenoxy)butan-2-one?
The canonical SMILES for 3-(2-bromo-4-chlorophenoxy)butan-2-one is CC(=O)C(C)Oc1ccc(Cl)cc1Br.
What is the InChIKey of 3-(2-bromo-4-chlorophenoxy)butan-2-one?
The InChIKey is WAPMORVJQMOFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO2/c1-6(13)7(2)14-10-4-3-8(12)5-9(10)11/h3-5,7H,1-2H3.
What are the key properties of 3-(2-bromo-4-chlorophenoxy)butan-2-one?
3-(2-bromo-4-chlorophenoxy)butan-2-one has a molecular weight of 277.55 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-chlorophenoxy)butan-2-one is sourced from PubChem (CID 60626588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).