(2S)-2-(4-bromophenoxy)butanoic acid

C10H11BrO3 — CID 7832525

IUPAC(2S)-2-(4-bromophenoxy)butanoic acid
SMILESCC[C@H](Oc1ccc(Br)cc1)C(=O)O
InChIInChI=1S/C10H11BrO3/c1-2-9(10(12)13)14-8-5-3-7(11)4-6-8/h3-6,9H,2H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeySOOHCBKDVIPIIJ-VIFPVBQESA-N
MW259.10 g/mol
LogP2.69
Rot. Bonds4

About (2S)-2-(4-bromophenoxy)butanoic acid

(2S)-2-(4-bromophenoxy)butanoic acid (PubChem CID 7832525) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is (2S)-2-(4-bromophenoxy)butanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-bromophenoxy)butanoic acid
PubChem CID7832525
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name(2S)-2-(4-bromophenoxy)butanoic acid
SMILESCC[C@H](Oc1ccc(Br)cc1)C(=O)O
InChIInChI=1S/C10H11BrO3/c1-2-9(10(12)13)14-8-5-3-7(11)4-6-8/h3-6,9H,2H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeySOOHCBKDVIPIIJ-VIFPVBQESA-N
XLogP2.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-methylphenoxy)butanoic acid
CID 54792675
2-[4-(1-hydroxyethyl)phenoxy]butanoic acid
CID 64661160
2-[4-(4-hydroxyphenyl)phenoxy]butanoic acid
CID 69203842
(2R)-2-(4-nitrophenoxy)butanoic acid
CID 7019234
(E)-but-2-enedioic acid;2-phenoxybutanoic acid
CID 162331423
2-(3,4-difluorophenoxy)butanoic acid
CID 43808864
(2S)-2-[4-(2-aminopropanoyl)phenoxy]butanoic acid;hydrochloride
CID 67650862
(2R)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]butanoic acid;(2S)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]butanoic acid
CID 139204486
2-[4-(4-bromo-2-fluorophenoxy)-2-fluorophenoxy]butanoic acid
CID 57100137
methyl 3-amino-2-(4-bromophenoxy)propanoate
CID 110209426
2-[3-bromo-4-(trifluoromethoxy)phenoxy]butanoic acid
CID 102714206
2-(3-methyl-4-propan-2-ylphenoxy)butanoic acid
CID 43808807

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenoxy)butanoic acid?
The IUPAC name of (2S)-2-(4-bromophenoxy)butanoic acid (CID 7832525) is (2S)-2-(4-bromophenoxy)butanoic acid.
What is the SMILES notation for (2S)-2-(4-bromophenoxy)butanoic acid?
The canonical SMILES for (2S)-2-(4-bromophenoxy)butanoic acid is CC[C@H](Oc1ccc(Br)cc1)C(=O)O.
What is the InChIKey of (2S)-2-(4-bromophenoxy)butanoic acid?
The InChIKey is SOOHCBKDVIPIIJ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11BrO3/c1-2-9(10(12)13)14-8-5-3-7(11)4-6-8/h3-6,9H,2H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenoxy)butanoic acid?
(2S)-2-(4-bromophenoxy)butanoic acid has a molecular weight of 259.10 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenoxy)butanoic acid is sourced from PubChem (CID 7832525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).