2-(4-bromo-3-chloro-2-hydroxyphenyl)propanoic acid

C9H8BrClO3 — CID 84811622

IUPAC2-(4-bromo-3-chloro-2-hydroxyphenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(Br)c(Cl)c1O
InChIInChI=1S/C9H8BrClO3/c1-4(9(13)14)5-2-3-6(10)7(11)8(5)12/h2-4,12H,1H3,(H,13,14)
InChIKeyLQHJVDBEZDRLPV-UHFFFAOYSA-N
MW279.52 g/mol
LogP3.00
Rot. Bonds2

About 2-(4-bromo-3-chloro-2-hydroxyphenyl)propanoic acid

2-(4-bromo-3-chloro-2-hydroxyphenyl)propanoic acid (PubChem CID 84811622) has the molecular formula C9H8BrClO3 and a molecular weight of 279.52 g/mol. Its IUPAC name is 2-(4-bromo-3-chloro-2-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-bromo-3-chloro-2-hydroxyphenyl)propanoic acid
PubChem CID84811622
Molecular FormulaC9H8BrClO3
Molecular Weight279.52 g/mol
Exact Mass277.93
IUPAC Name2-(4-bromo-3-chloro-2-hydroxyphenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(Br)c(Cl)c1O
InChIInChI=1S/C9H8BrClO3/c1-4(9(13)14)5-2-3-6(10)7(11)8(5)12/h2-4,12H,1H3,(H,13,14)
InChIKeyLQHJVDBEZDRLPV-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-hydroxy-3-methylphenyl)propanoic acid
CID 165347543
2-(2-hydroxy-3,4-dimethylphenyl)propanoic acid
CID 83878748
2-(3-bromo-2-hydroxy-5-methylphenyl)propanoic acid
CID 83901747
2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)propanoic acid
CID 83903974
2-(3-bromo-5-fluoro-2,4-dihydroxyphenyl)propanoic acid
CID 84811488
2-[2-bromo-4-(hydroxymethyl)phenyl]propanoic acid
CID 84806104
methyl 2-(3-chloro-2,4-dihydroxyphenyl)propanoate
CID 68634911
2-(7-chloro-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 117354065
2,6-dibromo-3-[1-(2,4-dibromo-3-hydroxyphenyl)ethyl]phenol
CID 90998864
3-bromo-2-chloro-6-(difluoromethyl)benzoic acid
CID 131362271
2-(2-chloro-3-hydroxy-5-methylphenyl)propanoic acid
CID 117305876
2-(4-bromo-2-fluorophenyl)propanoic acid
CID 67119220

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chloro-2-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-(4-bromo-3-chloro-2-hydroxyphenyl)propanoic acid (CID 84811622) is 2-(4-bromo-3-chloro-2-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-(4-bromo-3-chloro-2-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-(4-bromo-3-chloro-2-hydroxyphenyl)propanoic acid is CC(C(=O)O)c1ccc(Br)c(Cl)c1O.
What is the InChIKey of 2-(4-bromo-3-chloro-2-hydroxyphenyl)propanoic acid?
The InChIKey is LQHJVDBEZDRLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO3/c1-4(9(13)14)5-2-3-6(10)7(11)8(5)12/h2-4,12H,1H3,(H,13,14).
What are the key properties of 2-(4-bromo-3-chloro-2-hydroxyphenyl)propanoic acid?
2-(4-bromo-3-chloro-2-hydroxyphenyl)propanoic acid has a molecular weight of 279.52 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-chloro-2-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 84811622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).