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

C10H10BrClO3 — CID 103547713

IUPAC(3R)-3-(2-bromo-4-chlorophenoxy)butanoic acid
SMILESC[C@H](CC(=O)O)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C10H10BrClO3/c1-6(4-10(13)14)15-9-3-2-7(12)5-8(9)11/h2-3,5-6H,4H2,1H3,(H,13,14)/t6-/m1/s1
InChIKeyJBHYXVZDZMTSMV-ZCFIWIBFSA-N
MW293.54 g/mol
LogP3.34
Rot. Bonds4

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

(3R)-3-(2-bromo-4-chlorophenoxy)butanoic acid (PubChem CID 103547713) has the molecular formula C10H10BrClO3 and a molecular weight of 293.54 g/mol. Its IUPAC name is (3R)-3-(2-bromo-4-chlorophenoxy)butanoic acid.

Molecular Properties

Compound Name(3R)-3-(2-bromo-4-chlorophenoxy)butanoic acid
PubChem CID103547713
Molecular FormulaC10H10BrClO3
Molecular Weight293.54 g/mol
Exact Mass291.95
IUPAC Name(3R)-3-(2-bromo-4-chlorophenoxy)butanoic acid
SMILESC[C@H](CC(=O)O)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C10H10BrClO3/c1-6(4-10(13)14)15-9-3-2-7(12)5-8(9)11/h2-3,5-6H,4H2,1H3,(H,13,14)/t6-/m1/s1
InChIKeyJBHYXVZDZMTSMV-ZCFIWIBFSA-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

3-(4-bromo-2-chlorophenoxy)butanoic acid
CID 43536124
4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 81065118
(3S)-3-(2-bromophenoxy)butanoic acid
CID 71742862
3-(2-bromo-4-chlorophenoxy)butan-2-one
CID 60626588
2-(2-bromo-4-chlorophenoxy)propanoyl chloride
CID 88743448
(3R)-3-(2,5-dibromo-4-methoxyphenoxy)butanoic acid
CID 103548086
4-(2-bromo-4-chlorophenoxy)pentanehydrazide
CID 63575506
(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
CID 40773106
2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propanoic acid
CID 43170814
(3R)-3-(4-bromo-2-methylphenoxy)butanoic acid
CID 103548018
methyl 2-(2-bromo-4-chlorophenoxy)propanoate
CID 20526233
2-(2-bromo-4-chlorophenoxy)-N-ethylpropan-1-amine
CID 62459615

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-bromo-4-chlorophenoxy)butanoic acid?
The IUPAC name of (3R)-3-(2-bromo-4-chlorophenoxy)butanoic acid (CID 103547713) is (3R)-3-(2-bromo-4-chlorophenoxy)butanoic acid.
What is the SMILES notation for (3R)-3-(2-bromo-4-chlorophenoxy)butanoic acid?
The canonical SMILES for (3R)-3-(2-bromo-4-chlorophenoxy)butanoic acid is C[C@H](CC(=O)O)Oc1ccc(Cl)cc1Br.
What is the InChIKey of (3R)-3-(2-bromo-4-chlorophenoxy)butanoic acid?
The InChIKey is JBHYXVZDZMTSMV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H10BrClO3/c1-6(4-10(13)14)15-9-3-2-7(12)5-8(9)11/h2-3,5-6H,4H2,1H3,(H,13,14)/t6-/m1/s1.
What are the key properties of (3R)-3-(2-bromo-4-chlorophenoxy)butanoic acid?
(3R)-3-(2-bromo-4-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 (3R)-3-(2-bromo-4-chlorophenoxy)butanoic acid is sourced from PubChem (CID 103547713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).