2-(3-bromophenyl)-2-hydroxyacetic acid

C8H7BrO3 — CID 2757028

IUPAC2-(3-bromophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cccc(Br)c1
InChIInChI=1S/C8H7BrO3/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)
InChIKeyCBEMVOYIUQADIA-UHFFFAOYSA-N
MW231.04 g/mol
LogP1.57
Rot. Bonds2

About 2-(3-bromophenyl)-2-hydroxyacetic acid

2-(3-bromophenyl)-2-hydroxyacetic acid (PubChem CID 2757028) has the molecular formula C8H7BrO3 and a molecular weight of 231.04 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-hydroxyacetic acid
PubChem CID2757028
Molecular FormulaC8H7BrO3
Molecular Weight231.04 g/mol
Exact Mass229.96
IUPAC Name2-(3-bromophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cccc(Br)c1
InChIInChI=1S/C8H7BrO3/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)
InChIKeyCBEMVOYIUQADIA-UHFFFAOYSA-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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Related Compounds

(2R)-2-amino-2-(3-bromophenyl)acetic acid
CID 7033009
2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 66205536
(2S)-2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 174944828
2-(3-bromophenyl)-3-methylbutanoic acid
CID 23317028
3-(3-bromophenyl)-2-methylbutanoic acid
CID 130820149
(3S)-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 11673188
2,3-diamino-3-(3-bromophenyl)propanoic acid
CID 116942287
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
(2R)-2-hydroxy-2-phenylacetic acid;zinc
CID 57473641
(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 69001631
(2S)-2-hydroxy-2-phenylacetic acid;hydrochloride
CID 141322731

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3-bromophenyl)-2-hydroxyacetic acid (CID 2757028) is 2-(3-bromophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3-bromophenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3-bromophenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-hydroxyacetic acid?
The InChIKey is CBEMVOYIUQADIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO3/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12).
What are the key properties of 2-(3-bromophenyl)-2-hydroxyacetic acid?
2-(3-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 2-(3-bromophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 2757028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).