3-(5-bromo-3-chloro-2-hydroxyphenyl)propanoic acid

C9H8BrClO3 — CID 142920745

IUPAC3-(5-bromo-3-chloro-2-hydroxyphenyl)propanoic acid
SMILESO=C(O)CCc1cc(Br)cc(Cl)c1O
InChIInChI=1S/C9H8BrClO3/c10-6-3-5(1-2-8(12)13)9(14)7(11)4-6/h3-4,14H,1-2H2,(H,12,13)
InChIKeyCLNXIGWKQMIRRQ-UHFFFAOYSA-N
MW279.52 g/mol
LogP2.83
Rot. Bonds3

About 3-(5-bromo-3-chloro-2-hydroxyphenyl)propanoic acid

3-(5-bromo-3-chloro-2-hydroxyphenyl)propanoic acid (PubChem CID 142920745) has the molecular formula C9H8BrClO3 and a molecular weight of 279.52 g/mol. Its IUPAC name is 3-(5-bromo-3-chloro-2-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(5-bromo-3-chloro-2-hydroxyphenyl)propanoic acid
PubChem CID142920745
Molecular FormulaC9H8BrClO3
Molecular Weight279.52 g/mol
Exact Mass277.93
IUPAC Name3-(5-bromo-3-chloro-2-hydroxyphenyl)propanoic acid
SMILESO=C(O)CCc1cc(Br)cc(Cl)c1O
InChIInChI=1S/C9H8BrClO3/c10-6-3-5(1-2-8(12)13)9(14)7(11)4-6/h3-4,14H,1-2H2,(H,12,13)
InChIKeyCLNXIGWKQMIRRQ-UHFFFAOYSA-N
XLogP2.83
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.52
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(5-bromo-3-chloro-2-hydroxyphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-bromo-3-chloro-2-methylphenyl)propanoic acid
CID 84714681
3-(3,5-dichloro-2-hydroxyphenyl)propanoic acid
CID 54270247
3-(3-chloro-2-hydroxyphenyl)propanoic acid
CID 54416196
2-(5-bromo-3-chloro-2-fluorophenyl)acetic acid
CID 83402830
3-(3-chloro-5-fluoro-2,4-dihydroxyphenyl)propanoic acid
CID 84797135
3-(2-bromo-5-chloro-4-fluorophenyl)propanoic acid
CID 156859397
3-(5-bromo-2-sulfanylphenyl)propanoic acid
CID 130792995
3-(5-chloro-4-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 84706671
2-(3,5-dichloro-2-hydroxyphenyl)acetic acid
CID 70463293
3-(3-tert-butyl-5-chloro-2-hydroxyphenyl)propanoic acid
CID 117395317
3-[5-bromo-2-(fluoromethyl)phenyl]propanoic acid
CID 134622221
2-(5-bromo-3-chloro-2-nitrophenyl)acetic acid
CID 131537690

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-chloro-2-hydroxyphenyl)propanoic acid?
The IUPAC name of 3-(5-bromo-3-chloro-2-hydroxyphenyl)propanoic acid (CID 142920745) is 3-(5-bromo-3-chloro-2-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-(5-bromo-3-chloro-2-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3-(5-bromo-3-chloro-2-hydroxyphenyl)propanoic acid is O=C(O)CCc1cc(Br)cc(Cl)c1O.
What is the InChIKey of 3-(5-bromo-3-chloro-2-hydroxyphenyl)propanoic acid?
The InChIKey is CLNXIGWKQMIRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO3/c10-6-3-5(1-2-8(12)13)9(14)7(11)4-6/h3-4,14H,1-2H2,(H,12,13).
What are the key properties of 3-(5-bromo-3-chloro-2-hydroxyphenyl)propanoic acid?
3-(5-bromo-3-chloro-2-hydroxyphenyl)propanoic acid has a molecular weight of 279.52 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-chloro-2-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 142920745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).