2-(4-bromophenyl)-2-hydroxyacetate

C8H6BrO3- — CID 3613236

IUPAC2-(4-bromophenyl)-2-hydroxyacetate
SMILESO=C([O-])C(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)/p-1
InChIKeyBHZBRPQOYFDTAB-UHFFFAOYSA-M
MW230.04 g/mol
LogP0.23
Rot. Bonds2

About 2-(4-bromophenyl)-2-hydroxyacetate

2-(4-bromophenyl)-2-hydroxyacetate (PubChem CID 3613236) has the molecular formula C8H6BrO3- and a molecular weight of 230.04 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-hydroxyacetate
PubChem CID3613236
Molecular FormulaC8H6BrO3-
Molecular Weight230.04 g/mol
Exact Mass228.95
IUPAC Name2-(4-bromophenyl)-2-hydroxyacetate
SMILESO=C([O-])C(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)/p-1
InChIKeyBHZBRPQOYFDTAB-UHFFFAOYSA-M
XLogP0.23
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.04
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-hydroxyacetate?
The IUPAC name of 2-(4-bromophenyl)-2-hydroxyacetate (CID 3613236) is 2-(4-bromophenyl)-2-hydroxyacetate.
What is the SMILES notation for 2-(4-bromophenyl)-2-hydroxyacetate?
The canonical SMILES for 2-(4-bromophenyl)-2-hydroxyacetate is O=C([O-])C(O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-hydroxyacetate?
The InChIKey is BHZBRPQOYFDTAB-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-(4-bromophenyl)-2-hydroxyacetate?
2-(4-bromophenyl)-2-hydroxyacetate has a molecular weight of 230.04 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-hydroxyacetate is sourced from PubChem (CID 3613236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).