3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid

C10H11BrO3 — CID 84709646

IUPAC3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid
SMILESCc1ccc(CCC(=O)O)c(O)c1Br
InChIInChI=1S/C10H11BrO3/c1-6-2-3-7(4-5-8(12)13)10(14)9(6)11/h2-3,14H,4-5H2,1H3,(H,12,13)
InChIKeyUKXBAXXBJUJVTA-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.48
Rot. Bonds3

About 3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid

3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid (PubChem CID 84709646) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is 3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid
PubChem CID84709646
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid
SMILESCc1ccc(CCC(=O)O)c(O)c1Br
InChIInChI=1S/C10H11BrO3/c1-6-2-3-7(4-5-8(12)13)10(14)9(6)11/h2-3,14H,4-5H2,1H3,(H,12,13)
InChIKeyUKXBAXXBJUJVTA-UHFFFAOYSA-N
XLogP2.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromo-2-hydroxy-4-methoxyphenyl)propanoic acid
CID 84810610
6-(2-aminoethyl)-2-bromo-3-methylphenol
CID 84693265
3-(4-bromo-2-methylphenyl)propanoic acid
CID 69202839
3-(3-bromo-2-hydroxy-4-methylphenyl)-2-methylpropanoic acid
CID 84713491
2-amino-3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid
CID 84713730
4-(3-chloro-2-hydroxy-4-methylphenyl)butanoic acid
CID 117329471
4-(3-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid
CID 83904447
2-bromo-3-methyl-6-(methylaminomethyl)phenol
CID 84693267
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
2,3-dibromo-4-(2-carboxyethyl)benzoic acid
CID 141168899
(3-bromo-2-hydroxy-4-methylphenyl)methanesulfonyl chloride
CID 117482561
3-(3-bromo-2,4-difluorophenyl)propanoic acid
CID 84807517

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid?
The IUPAC name of 3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid (CID 84709646) is 3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid?
The canonical SMILES for 3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid is Cc1ccc(CCC(=O)O)c(O)c1Br.
What is the InChIKey of 3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid?
The InChIKey is UKXBAXXBJUJVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-6-2-3-7(4-5-8(12)13)10(14)9(6)11/h2-3,14H,4-5H2,1H3,(H,12,13).
What are the key properties of 3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid?
3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid has a molecular weight of 259.10 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid is sourced from PubChem (CID 84709646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).