(3R)-3-(2,6-dibromophenoxy)butanoic acid

C10H10Br2O3 — CID 103547748

IUPAC(3R)-3-(2,6-dibromophenoxy)butanoic acid
SMILESC[C@H](CC(=O)O)Oc1c(Br)cccc1Br
InChIInChI=1S/C10H10Br2O3/c1-6(5-9(13)14)15-10-7(11)3-2-4-8(10)12/h2-4,6H,5H2,1H3,(H,13,14)/t6-/m1/s1
InChIKeyBMOUIVPYFNUXCJ-ZCFIWIBFSA-N
MW338.00 g/mol
LogP3.45
Rot. Bonds4

About (3R)-3-(2,6-dibromophenoxy)butanoic acid

(3R)-3-(2,6-dibromophenoxy)butanoic acid (PubChem CID 103547748) has the molecular formula C10H10Br2O3 and a molecular weight of 338.00 g/mol. Its IUPAC name is (3R)-3-(2,6-dibromophenoxy)butanoic acid.

Molecular Properties

Compound Name(3R)-3-(2,6-dibromophenoxy)butanoic acid
PubChem CID103547748
Molecular FormulaC10H10Br2O3
Molecular Weight338.00 g/mol
Exact Mass335.90
IUPAC Name(3R)-3-(2,6-dibromophenoxy)butanoic acid
SMILESC[C@H](CC(=O)O)Oc1c(Br)cccc1Br
InChIInChI=1S/C10H10Br2O3/c1-6(5-9(13)14)15-10-7(11)3-2-4-8(10)12/h2-4,6H,5H2,1H3,(H,13,14)/t6-/m1/s1
InChIKeyBMOUIVPYFNUXCJ-ZCFIWIBFSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(2-bromophenoxy)butanoic acid
CID 71742862
3-(2,3-dihydroxyphenoxy)butanoic acid
CID 42605052
(3S)-3-(4-bromo-3,5-dimethylphenoxy)butanoic acid
CID 107722370
3-(2-bromo-6-formylphenoxy)butanamide
CID 123241390
(3R)-3-(2-bromo-4-chlorophenoxy)butanoic acid
CID 103547713
(3R)-3-(2,5-dibromo-4-methoxyphenoxy)butanoic acid
CID 103548086
4-(2-bromophenoxy)pentan-2-one
CID 64698957
(3R)-3-(2,3,5,6-tetrafluorophenoxy)butanoic acid
CID 103548238
(3R)-3-(2,3-difluorophenoxy)butanoic acid
CID 94985896
(3R)-3-(4-bromo-2-methylphenoxy)butanoic acid
CID 103548018
3-(4-bromo-2-chlorophenoxy)butanoic acid
CID 43536124
(3S)-3-[3-bromo-4-(trifluoromethoxy)phenoxy]butanoic acid
CID 103548218

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,6-dibromophenoxy)butanoic acid?
The IUPAC name of (3R)-3-(2,6-dibromophenoxy)butanoic acid (CID 103547748) is (3R)-3-(2,6-dibromophenoxy)butanoic acid.
What is the SMILES notation for (3R)-3-(2,6-dibromophenoxy)butanoic acid?
The canonical SMILES for (3R)-3-(2,6-dibromophenoxy)butanoic acid is C[C@H](CC(=O)O)Oc1c(Br)cccc1Br.
What is the InChIKey of (3R)-3-(2,6-dibromophenoxy)butanoic acid?
The InChIKey is BMOUIVPYFNUXCJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H10Br2O3/c1-6(5-9(13)14)15-10-7(11)3-2-4-8(10)12/h2-4,6H,5H2,1H3,(H,13,14)/t6-/m1/s1.
What are the key properties of (3R)-3-(2,6-dibromophenoxy)butanoic acid?
(3R)-3-(2,6-dibromophenoxy)butanoic acid has a molecular weight of 338.00 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,6-dibromophenoxy)butanoic acid is sourced from PubChem (CID 103547748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).