4-(2,4-dibromophenoxy)pentanoic acid

C11H12Br2O3 — CID 62214514

IUPAC4-(2,4-dibromophenoxy)pentanoic acid
SMILESCC(CCC(=O)O)Oc1ccc(Br)cc1Br
InChIInChI=1S/C11H12Br2O3/c1-7(2-5-11(14)15)16-10-4-3-8(12)6-9(10)13/h3-4,6-7H,2,5H2,1H3,(H,14,15)
InChIKeyDXEDUJZIIJUEBQ-UHFFFAOYSA-N
MW352.02 g/mol
LogP3.84
Rot. Bonds5

About 4-(2,4-dibromophenoxy)pentanoic acid

4-(2,4-dibromophenoxy)pentanoic acid (PubChem CID 62214514) has the molecular formula C11H12Br2O3 and a molecular weight of 352.02 g/mol. Its IUPAC name is 4-(2,4-dibromophenoxy)pentanoic acid.

Molecular Properties

Compound Name4-(2,4-dibromophenoxy)pentanoic acid
PubChem CID62214514
Molecular FormulaC11H12Br2O3
Molecular Weight352.02 g/mol
Exact Mass349.92
IUPAC Name4-(2,4-dibromophenoxy)pentanoic acid
SMILESCC(CCC(=O)O)Oc1ccc(Br)cc1Br
InChIInChI=1S/C11H12Br2O3/c1-7(2-5-11(14)15)16-10-4-3-8(12)6-9(10)13/h3-4,6-7H,2,5H2,1H3,(H,14,15)
InChIKeyDXEDUJZIIJUEBQ-UHFFFAOYSA-N
XLogP3.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.02
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-2-chlorophenoxy)butanoic acid
CID 43536124
4-(4-bromo-2-chlorophenoxy)pentanehydrazide
CID 63574538
(3R)-3-(4-bromo-2-methylphenoxy)butanoic acid
CID 103548018
4-(2-bromo-4-chlorophenoxy)pentanehydrazide
CID 63575506
(3R)-3-(2-bromo-4-chlorophenoxy)butanoic acid
CID 103547713
4-(4-bromo-3,5-dimethylphenoxy)pentanoic acid
CID 107722381
3-(2,4-dibromophenoxy)-2-methylpropanoic acid
CID 43538016
N-[2-(2,4-dibromophenoxy)propyl]-2-methylpropan-1-amine
CID 63516536
4-(4-methyl-2-nitrophenoxy)pentanoic acid
CID 62212721
4-(4-chloronaphthalen-1-yl)oxypentanoic acid
CID 55047842
4-(5-bromo-2-methoxyphenyl)-4-chlorobutanoic acid
CID 103440278
4-(2-methoxy-5-nitrophenoxy)pentanoic acid
CID 62213612

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dibromophenoxy)pentanoic acid?
The IUPAC name of 4-(2,4-dibromophenoxy)pentanoic acid (CID 62214514) is 4-(2,4-dibromophenoxy)pentanoic acid.
What is the SMILES notation for 4-(2,4-dibromophenoxy)pentanoic acid?
The canonical SMILES for 4-(2,4-dibromophenoxy)pentanoic acid is CC(CCC(=O)O)Oc1ccc(Br)cc1Br.
What is the InChIKey of 4-(2,4-dibromophenoxy)pentanoic acid?
The InChIKey is DXEDUJZIIJUEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2O3/c1-7(2-5-11(14)15)16-10-4-3-8(12)6-9(10)13/h3-4,6-7H,2,5H2,1H3,(H,14,15).
What are the key properties of 4-(2,4-dibromophenoxy)pentanoic acid?
4-(2,4-dibromophenoxy)pentanoic acid has a molecular weight of 352.02 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dibromophenoxy)pentanoic acid is sourced from PubChem (CID 62214514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).