2-(2,5-dibromo-4-methylphenyl)-2-hydroxyacetic acid

C9H8Br2O3 — CID 171003131

IUPAC2-(2,5-dibromo-4-methylphenyl)-2-hydroxyacetic acid
SMILESCc1cc(Br)c(C(O)C(=O)O)cc1Br
InChIInChI=1S/C9H8Br2O3/c1-4-2-7(11)5(3-6(4)10)8(12)9(13)14/h2-3,8,12H,1H3,(H,13,14)
InChIKeyLRXLPAKNJFYOFQ-UHFFFAOYSA-N
MW323.97 g/mol
LogP2.64
Rot. Bonds2

About 2-(2,5-dibromo-4-methylphenyl)-2-hydroxyacetic acid

2-(2,5-dibromo-4-methylphenyl)-2-hydroxyacetic acid (PubChem CID 171003131) has the molecular formula C9H8Br2O3 and a molecular weight of 323.97 g/mol. Its IUPAC name is 2-(2,5-dibromo-4-methylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2,5-dibromo-4-methylphenyl)-2-hydroxyacetic acid
PubChem CID171003131
Molecular FormulaC9H8Br2O3
Molecular Weight323.97 g/mol
Exact Mass321.88
IUPAC Name2-(2,5-dibromo-4-methylphenyl)-2-hydroxyacetic acid
SMILESCc1cc(Br)c(C(O)C(=O)O)cc1Br
InChIInChI=1S/C9H8Br2O3/c1-4-2-7(11)5(3-6(4)10)8(12)9(13)14/h2-3,8,12H,1H3,(H,13,14)
InChIKeyLRXLPAKNJFYOFQ-UHFFFAOYSA-N
XLogP2.64
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.97
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-(2,4,5-tribromophenyl)acetic acid
CID 119006562
2-(2-bromo-4-methyl-5-nitrophenyl)-2-hydroxyacetic acid
CID 119015806
2-[2-bromo-4-(bromomethyl)phenyl]-2-hydroxyacetic acid
CID 118990978
2-(5-bromo-2-fluoro-3-methylphenyl)-2-hydroxyacetic acid
CID 83403424
2-(3-bromo-5-chloro-2-methylphenyl)-2-hydroxyacetic acid
CID 171002346
(2S)-2-amino-2-(5-bromo-2-hydroxy-4-methylphenyl)acetic acid
CID 66513485
2-(6-bromo-1,3-benzodioxol-5-yl)-2-hydroxyacetic acid
CID 117439384
2-(5-bromo-2-hydroxy-4-methoxy-3-methylphenyl)-2-hydroxyacetic acid
CID 117470010
2-(4-bromo-2-fluoro-3-hydroxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117447192
(2S)-2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
CID 131437530
2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
CID 69148385
2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic acid
CID 117411611

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dibromo-4-methylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2,5-dibromo-4-methylphenyl)-2-hydroxyacetic acid (CID 171003131) is 2-(2,5-dibromo-4-methylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2,5-dibromo-4-methylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2,5-dibromo-4-methylphenyl)-2-hydroxyacetic acid is Cc1cc(Br)c(C(O)C(=O)O)cc1Br.
What is the InChIKey of 2-(2,5-dibromo-4-methylphenyl)-2-hydroxyacetic acid?
The InChIKey is LRXLPAKNJFYOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2O3/c1-4-2-7(11)5(3-6(4)10)8(12)9(13)14/h2-3,8,12H,1H3,(H,13,14).
What are the key properties of 2-(2,5-dibromo-4-methylphenyl)-2-hydroxyacetic acid?
2-(2,5-dibromo-4-methylphenyl)-2-hydroxyacetic acid has a molecular weight of 323.97 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dibromo-4-methylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 171003131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).