2-(3-bromo-5-chloro-2-methylphenyl)-2-hydroxyacetic acid

C9H8BrClO3 — CID 171002346

IUPAC2-(3-bromo-5-chloro-2-methylphenyl)-2-hydroxyacetic acid
SMILESCc1c(Br)cc(Cl)cc1C(O)C(=O)O
InChIInChI=1S/C9H8BrClO3/c1-4-6(8(12)9(13)14)2-5(11)3-7(4)10/h2-3,8,12H,1H3,(H,13,14)
InChIKeySPLXIRWEAREVTJ-UHFFFAOYSA-N
MW279.52 g/mol
LogP2.53
Rot. Bonds2

About 2-(3-bromo-5-chloro-2-methylphenyl)-2-hydroxyacetic acid

2-(3-bromo-5-chloro-2-methylphenyl)-2-hydroxyacetic acid (PubChem CID 171002346) has the molecular formula C9H8BrClO3 and a molecular weight of 279.52 g/mol. Its IUPAC name is 2-(3-bromo-5-chloro-2-methylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3-bromo-5-chloro-2-methylphenyl)-2-hydroxyacetic acid
PubChem CID171002346
Molecular FormulaC9H8BrClO3
Molecular Weight279.52 g/mol
Exact Mass277.93
IUPAC Name2-(3-bromo-5-chloro-2-methylphenyl)-2-hydroxyacetic acid
SMILESCc1c(Br)cc(Cl)cc1C(O)C(=O)O
InChIInChI=1S/C9H8BrClO3/c1-4-6(8(12)9(13)14)2-5(11)3-7(4)10/h2-3,8,12H,1H3,(H,13,14)
InChIKeySPLXIRWEAREVTJ-UHFFFAOYSA-N
XLogP2.53
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.52
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-hydroxy-3-methylphenyl)-2-hydroxyacetic acid
CID 117308561
2-(3-bromo-5-chloro-4-methylphenyl)-2-hydroxyacetic acid
CID 171002378
2-(2,5-dibromo-4-methylphenyl)-2-hydroxyacetic acid
CID 171003131
2-(3-chloro-5-fluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 117311528
2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117333208
2-hydroxy-2-(2,4,5-tribromophenyl)acetic acid
CID 119006562
2-(5-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117341280
(2R)-2-(2,4-dichloro-5-methylphenyl)-2-hydroxyacetic acid
CID 125129481
2-(3-bromo-5-iodo-4-methylphenyl)-2-hydroxyacetic acid
CID 171000893
2-(4-bromo-2-chloro-5-fluorophenyl)-2-hydroxyacetic acid
CID 171000601
2-(5-bromo-2-chloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 117455837
2-(5-bromo-2-hydroxy-4-methoxy-3-methylphenyl)-2-hydroxyacetic acid
CID 117470010

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-chloro-2-methylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3-bromo-5-chloro-2-methylphenyl)-2-hydroxyacetic acid (CID 171002346) is 2-(3-bromo-5-chloro-2-methylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3-bromo-5-chloro-2-methylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3-bromo-5-chloro-2-methylphenyl)-2-hydroxyacetic acid is Cc1c(Br)cc(Cl)cc1C(O)C(=O)O.
What is the InChIKey of 2-(3-bromo-5-chloro-2-methylphenyl)-2-hydroxyacetic acid?
The InChIKey is SPLXIRWEAREVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO3/c1-4-6(8(12)9(13)14)2-5(11)3-7(4)10/h2-3,8,12H,1H3,(H,13,14).
What are the key properties of 2-(3-bromo-5-chloro-2-methylphenyl)-2-hydroxyacetic acid?
2-(3-bromo-5-chloro-2-methylphenyl)-2-hydroxyacetic acid has a molecular weight of 279.52 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-chloro-2-methylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 171002346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).