3-(4-bromo-2-chlorophenoxy)butanoic acid

C10H10BrClO3 — CID 43536124

IUPAC3-(4-bromo-2-chlorophenoxy)butanoic acid
SMILESCC(CC(=O)O)Oc1ccc(Br)cc1Cl
InChIInChI=1S/C10H10BrClO3/c1-6(4-10(13)14)15-9-3-2-7(11)5-8(9)12/h2-3,5-6H,4H2,1H3,(H,13,14)
InChIKeyUDLFOFLVKFUEKF-UHFFFAOYSA-N
MW293.54 g/mol
LogP3.34
Rot. Bonds4

About 3-(4-bromo-2-chlorophenoxy)butanoic acid

3-(4-bromo-2-chlorophenoxy)butanoic acid (PubChem CID 43536124) has the molecular formula C10H10BrClO3 and a molecular weight of 293.54 g/mol. Its IUPAC name is 3-(4-bromo-2-chlorophenoxy)butanoic acid.

Molecular Properties

Compound Name3-(4-bromo-2-chlorophenoxy)butanoic acid
PubChem CID43536124
Molecular FormulaC10H10BrClO3
Molecular Weight293.54 g/mol
Exact Mass291.95
IUPAC Name3-(4-bromo-2-chlorophenoxy)butanoic acid
SMILESCC(CC(=O)O)Oc1ccc(Br)cc1Cl
InChIInChI=1S/C10H10BrClO3/c1-6(4-10(13)14)15-9-3-2-7(11)5-8(9)12/h2-3,5-6H,4H2,1H3,(H,13,14)
InChIKeyUDLFOFLVKFUEKF-UHFFFAOYSA-N
XLogP3.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.54
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(4-bromo-2-methylphenoxy)butanoic acid
CID 103548018
(3R)-3-(2-bromo-4-chlorophenoxy)butanoic acid
CID 103547713
3-(2-chloro-4-cyanophenoxy)butanoic acid
CID 43536234
4-(4-bromo-2-chlorophenoxy)pentanehydrazide
CID 63574538
methyl (2R)-2-(4-bromo-2-chlorophenoxy)propanoate
CID 40721204
4-(2,4-dibromophenoxy)pentanoic acid
CID 62214514
4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 81064088
(3S)-3-(2-bromophenoxy)butanoic acid
CID 71742862
4-bromo-2-chloro-1-pentan-3-yloxybenzene
CID 68867581
(3R)-3-(2,5-dibromo-4-methoxyphenoxy)butanoic acid
CID 103548086
(2S)-2-(4-bromo-2-chlorophenoxy)-N-carbamoylpropanamide
CID 2638136
(2S)-2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 7382474

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-chlorophenoxy)butanoic acid?
The IUPAC name of 3-(4-bromo-2-chlorophenoxy)butanoic acid (CID 43536124) is 3-(4-bromo-2-chlorophenoxy)butanoic acid.
What is the SMILES notation for 3-(4-bromo-2-chlorophenoxy)butanoic acid?
The canonical SMILES for 3-(4-bromo-2-chlorophenoxy)butanoic acid is CC(CC(=O)O)Oc1ccc(Br)cc1Cl.
What is the InChIKey of 3-(4-bromo-2-chlorophenoxy)butanoic acid?
The InChIKey is UDLFOFLVKFUEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO3/c1-6(4-10(13)14)15-9-3-2-7(11)5-8(9)12/h2-3,5-6H,4H2,1H3,(H,13,14).
What are the key properties of 3-(4-bromo-2-chlorophenoxy)butanoic acid?
3-(4-bromo-2-chlorophenoxy)butanoic acid has a molecular weight of 293.54 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-chlorophenoxy)butanoic acid is sourced from PubChem (CID 43536124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).