3-(2,4-dibromophenoxy)-2-methylpropanoic acid

C10H10Br2O3 — CID 43538016

IUPAC3-(2,4-dibromophenoxy)-2-methylpropanoic acid
SMILESCC(COc1ccc(Br)cc1Br)C(=O)O
InChIInChI=1S/C10H10Br2O3/c1-6(10(13)14)5-15-9-3-2-7(11)4-8(9)12/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeyHXMPIHSCNVTEQI-UHFFFAOYSA-N
MW338.00 g/mol
LogP3.31
Rot. Bonds4

About 3-(2,4-dibromophenoxy)-2-methylpropanoic acid

3-(2,4-dibromophenoxy)-2-methylpropanoic acid (PubChem CID 43538016) has the molecular formula C10H10Br2O3 and a molecular weight of 338.00 g/mol. Its IUPAC name is 3-(2,4-dibromophenoxy)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2,4-dibromophenoxy)-2-methylpropanoic acid
PubChem CID43538016
Molecular FormulaC10H10Br2O3
Molecular Weight338.00 g/mol
Exact Mass335.90
IUPAC Name3-(2,4-dibromophenoxy)-2-methylpropanoic acid
SMILESCC(COc1ccc(Br)cc1Br)C(=O)O
InChIInChI=1S/C10H10Br2O3/c1-6(10(13)14)5-15-9-3-2-7(11)4-8(9)12/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeyHXMPIHSCNVTEQI-UHFFFAOYSA-N
XLogP3.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.00
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid
CID 54991092
(2S)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]butanedioic acid
CID 112732923
(2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid
CID 59456425
1-(2,4-dibromophenoxy)butan-2-one
CID 62038524
2,4-dibromo-1-(2,6-dimethyloctoxy)benzene
CID 139967544
1-(2,4-dibromophenoxy)-3-(dimethylamino)propan-2-ol
CID 16877055
(2S)-1-(2,4-dibromophenoxy)-3-(dimethylamino)propan-2-ol
CID 42588460
5-bromo-2-[2-(2,4-dibromophenoxy)acetyl]oxybenzoic acid
CID 54854409
2-acetamido-3-(2-bromo-4-chlorophenoxy)propanoic acid
CID 65441782
2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 18161002
(4-bromophenyl) 3-bromo-4-(2-methylpropoxy)benzoate
CID 23012747
5-bromo-2-[5-bromo-2-(2-methylpropoxy)benzoyl]oxybenzoic acid
CID 54854198

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dibromophenoxy)-2-methylpropanoic acid?
The IUPAC name of 3-(2,4-dibromophenoxy)-2-methylpropanoic acid (CID 43538016) is 3-(2,4-dibromophenoxy)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2,4-dibromophenoxy)-2-methylpropanoic acid?
The canonical SMILES for 3-(2,4-dibromophenoxy)-2-methylpropanoic acid is CC(COc1ccc(Br)cc1Br)C(=O)O.
What is the InChIKey of 3-(2,4-dibromophenoxy)-2-methylpropanoic acid?
The InChIKey is HXMPIHSCNVTEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O3/c1-6(10(13)14)5-15-9-3-2-7(11)4-8(9)12/h2-4,6H,5H2,1H3,(H,13,14).
What are the key properties of 3-(2,4-dibromophenoxy)-2-methylpropanoic acid?
3-(2,4-dibromophenoxy)-2-methylpropanoic acid has a molecular weight of 338.00 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dibromophenoxy)-2-methylpropanoic acid is sourced from PubChem (CID 43538016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).