methyl 2-(2-bromo-4-chlorophenoxy)propanoate

C10H10BrClO3 — CID 20526233

IUPACmethyl 2-(2-bromo-4-chlorophenoxy)propanoate
SMILESCOC(=O)C(C)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C10H10BrClO3/c1-6(10(13)14-2)15-9-4-3-7(12)5-8(9)11/h3-6H,1-2H3
InChIKeyOOBMBUFYQPVSSQ-UHFFFAOYSA-N
MW293.54 g/mol
LogP3.04
Rot. Bonds3

About methyl 2-(2-bromo-4-chlorophenoxy)propanoate

methyl 2-(2-bromo-4-chlorophenoxy)propanoate (PubChem CID 20526233) has the molecular formula C10H10BrClO3 and a molecular weight of 293.54 g/mol. Its IUPAC name is methyl 2-(2-bromo-4-chlorophenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-bromo-4-chlorophenoxy)propanoate
PubChem CID20526233
Molecular FormulaC10H10BrClO3
Molecular Weight293.54 g/mol
Exact Mass291.95
IUPAC Namemethyl 2-(2-bromo-4-chlorophenoxy)propanoate
SMILESCOC(=O)C(C)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C10H10BrClO3/c1-6(10(13)14-2)15-9-4-3-7(12)5-8(9)11/h3-6H,1-2H3
InChIKeyOOBMBUFYQPVSSQ-UHFFFAOYSA-N
XLogP3.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.54
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propanoate
CID 60727143
3-(2-bromo-4-chlorophenoxy)butan-2-one
CID 60626588
2-(2-bromo-4-chlorophenoxy)propanoyl chloride
CID 88743448
2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide
CID 3901807
(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
CID 40773106
methyl (2R)-2-(2-bromo-4-chlorophenoxy)-4-methylpentanoate
CID 114282399
methyl (2R)-2-(2,5-dichlorophenoxy)propanoate
CID 103337705
2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propanoic acid
CID 43170814
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide
CID 43080396
methyl (2R)-2-(4-bromo-2-chlorophenoxy)propanoate
CID 40721204
2-(2-bromo-4-chlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 60626656
(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8728140

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromo-4-chlorophenoxy)propanoate?
The IUPAC name of methyl 2-(2-bromo-4-chlorophenoxy)propanoate (CID 20526233) is methyl 2-(2-bromo-4-chlorophenoxy)propanoate.
What is the SMILES notation for methyl 2-(2-bromo-4-chlorophenoxy)propanoate?
The canonical SMILES for methyl 2-(2-bromo-4-chlorophenoxy)propanoate is COC(=O)C(C)Oc1ccc(Cl)cc1Br.
What is the InChIKey of methyl 2-(2-bromo-4-chlorophenoxy)propanoate?
The InChIKey is OOBMBUFYQPVSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO3/c1-6(10(13)14-2)15-9-4-3-7(12)5-8(9)11/h3-6H,1-2H3.
What are the key properties of methyl 2-(2-bromo-4-chlorophenoxy)propanoate?
methyl 2-(2-bromo-4-chlorophenoxy)propanoate has a molecular weight of 293.54 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromo-4-chlorophenoxy)propanoate is sourced from PubChem (CID 20526233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).