2-hydroxy-2-(2,4,5-tribromophenyl)acetic acid

C8H5Br3O3 — CID 119006562

IUPAC2-hydroxy-2-(2,4,5-tribromophenyl)acetic acid
SMILESO=C(O)C(O)c1cc(Br)c(Br)cc1Br
InChIInChI=1S/C8H5Br3O3/c9-4-2-6(11)5(10)1-3(4)7(12)8(13)14/h1-2,7,12H,(H,13,14)
InChIKeyVOZPOJOKQBOZAA-UHFFFAOYSA-N
MW388.84 g/mol
LogP3.09
Rot. Bonds2

About 2-hydroxy-2-(2,4,5-tribromophenyl)acetic acid

2-hydroxy-2-(2,4,5-tribromophenyl)acetic acid (PubChem CID 119006562) has the molecular formula C8H5Br3O3 and a molecular weight of 388.84 g/mol. Its IUPAC name is 2-hydroxy-2-(2,4,5-tribromophenyl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(2,4,5-tribromophenyl)acetic acid
PubChem CID119006562
Molecular FormulaC8H5Br3O3
Molecular Weight388.84 g/mol
Exact Mass385.78
IUPAC Name2-hydroxy-2-(2,4,5-tribromophenyl)acetic acid
SMILESO=C(O)C(O)c1cc(Br)c(Br)cc1Br
InChIInChI=1S/C8H5Br3O3/c9-4-2-6(11)5(10)1-3(4)7(12)8(13)14/h1-2,7,12H,(H,13,14)
InChIKeyVOZPOJOKQBOZAA-UHFFFAOYSA-N
XLogP3.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.84
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dibromo-4-methylphenyl)-2-hydroxyacetic acid
CID 171003131
2-(6-bromo-1,3-benzodioxol-5-yl)-2-hydroxyacetic acid
CID 117439384
2-[2-bromo-4-(bromomethyl)phenyl]-2-hydroxyacetic acid
CID 118990978
2-(5-bromo-2-chloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 117455837
2-(3,5-dibromo-2-fluorophenyl)-2-hydroxyacetic acid
CID 171008427
2-(2-bromo-4-methyl-5-nitrophenyl)-2-hydroxyacetic acid
CID 119015806
(2S)-2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
CID 131437530
(2R)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131586702
(2S)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131441152
2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
CID 69148385
2-(3-bromo-5-chloro-2-methylphenyl)-2-hydroxyacetic acid
CID 171002346
2-(4-bromo-2-chloro-5-fluorophenyl)-2-hydroxyacetic acid
CID 171000601

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2,4,5-tribromophenyl)acetic acid?
The IUPAC name of 2-hydroxy-2-(2,4,5-tribromophenyl)acetic acid (CID 119006562) is 2-hydroxy-2-(2,4,5-tribromophenyl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(2,4,5-tribromophenyl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(2,4,5-tribromophenyl)acetic acid is O=C(O)C(O)c1cc(Br)c(Br)cc1Br.
What is the InChIKey of 2-hydroxy-2-(2,4,5-tribromophenyl)acetic acid?
The InChIKey is VOZPOJOKQBOZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br3O3/c9-4-2-6(11)5(10)1-3(4)7(12)8(13)14/h1-2,7,12H,(H,13,14).
What are the key properties of 2-hydroxy-2-(2,4,5-tribromophenyl)acetic acid?
2-hydroxy-2-(2,4,5-tribromophenyl)acetic acid has a molecular weight of 388.84 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2,4,5-tribromophenyl)acetic acid is sourced from PubChem (CID 119006562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).