(2S)-2-(4-bromophenyl)-2-hydroxyacetic acid

C8H7BrO3 — CID 688348

IUPAC(2S)-2-(4-bromophenyl)-2-hydroxyacetic acid
SMILESO=C(O)[C@@H](O)c1ccc(Br)cc1
InChIInChI=1S/C8H7BrO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m0/s1
InChIKeyBHZBRPQOYFDTAB-ZETCQYMHSA-N
MW231.04 g/mol
LogP1.57
Rot. Bonds2

About (2S)-2-(4-bromophenyl)-2-hydroxyacetic acid

(2S)-2-(4-bromophenyl)-2-hydroxyacetic acid (PubChem CID 688348) has the molecular formula C8H7BrO3 and a molecular weight of 231.04 g/mol. Its IUPAC name is (2S)-2-(4-bromophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name(2S)-2-(4-bromophenyl)-2-hydroxyacetic acid
PubChem CID688348
Molecular FormulaC8H7BrO3
Molecular Weight231.04 g/mol
Exact Mass229.96
IUPAC Name(2S)-2-(4-bromophenyl)-2-hydroxyacetic acid
SMILESO=C(O)[C@@H](O)c1ccc(Br)cc1
InChIInChI=1S/C8H7BrO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m0/s1
InChIKeyBHZBRPQOYFDTAB-ZETCQYMHSA-N
XLogP1.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.04
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenyl)-2-hydroxyacetic acid?
The IUPAC name of (2S)-2-(4-bromophenyl)-2-hydroxyacetic acid (CID 688348) is (2S)-2-(4-bromophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for (2S)-2-(4-bromophenyl)-2-hydroxyacetic acid?
The canonical SMILES for (2S)-2-(4-bromophenyl)-2-hydroxyacetic acid is O=C(O)[C@@H](O)c1ccc(Br)cc1.
What is the InChIKey of (2S)-2-(4-bromophenyl)-2-hydroxyacetic acid?
The InChIKey is BHZBRPQOYFDTAB-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H7BrO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenyl)-2-hydroxyacetic acid?
(2S)-2-(4-bromophenyl)-2-hydroxyacetic acid has a molecular weight of 231.04 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 688348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).