2-[2-bromo-4-(hydroxymethyl)phenyl]propanoic acid

C10H11BrO3 — CID 84806104

IUPAC2-[2-bromo-4-(hydroxymethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(CO)cc1Br
InChIInChI=1S/C10H11BrO3/c1-6(10(13)14)8-3-2-7(5-12)4-9(8)11/h2-4,6,12H,5H2,1H3,(H,13,14)
InChIKeyZTKVPOJZLPGZLE-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.13
Rot. Bonds3

About 2-[2-bromo-4-(hydroxymethyl)phenyl]propanoic acid

2-[2-bromo-4-(hydroxymethyl)phenyl]propanoic acid (PubChem CID 84806104) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-[2-bromo-4-(hydroxymethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[2-bromo-4-(hydroxymethyl)phenyl]propanoic acid
PubChem CID84806104
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name2-[2-bromo-4-(hydroxymethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(CO)cc1Br
InChIInChI=1S/C10H11BrO3/c1-6(10(13)14)8-3-2-7(5-12)4-9(8)11/h2-4,6,12H,5H2,1H3,(H,13,14)
InChIKeyZTKVPOJZLPGZLE-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-1-[2-bromo-5-(hydroxymethyl)phenyl]propan-2-one
CID 131190688
2-[2-bromo-4-(bromomethyl)phenyl]-2-hydroxyacetic acid
CID 118990978
2-(4-bromo-2-fluorophenyl)propanoic acid
CID 67119220
2-(3-bromo-5-ethyl-2-fluorophenyl)propanoic acid
CID 117439532
1-[2-bromo-4-(hydroxymethyl)phenyl]propan-2-one
CID 118830117
2-bromo-5-(hydroxymethyl)benzoic acid
CID 58334636
1-[3-bromo-4-(1-fluoroethyl)phenyl]propan-2-one
CID 84709740
2-(4-bromo-3-chloro-2-hydroxyphenyl)propanoic acid
CID 84811622
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-methylpropanamide
CID 63052142
2-amino-3-(3-bromo-4-pentan-3-ylphenyl)propanoic acid
CID 117499853
3-(3-bromo-4-butan-2-ylphenyl)-2,2-dimethylpropanoic acid
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5-(hydroxymethyl)-2-propan-2-ylphenol
CID 14002478

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(hydroxymethyl)phenyl]propanoic acid?
The IUPAC name of 2-[2-bromo-4-(hydroxymethyl)phenyl]propanoic acid (CID 84806104) is 2-[2-bromo-4-(hydroxymethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[2-bromo-4-(hydroxymethyl)phenyl]propanoic acid?
The canonical SMILES for 2-[2-bromo-4-(hydroxymethyl)phenyl]propanoic acid is CC(C(=O)O)c1ccc(CO)cc1Br.
What is the InChIKey of 2-[2-bromo-4-(hydroxymethyl)phenyl]propanoic acid?
The InChIKey is ZTKVPOJZLPGZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-6(10(13)14)8-3-2-7(5-12)4-9(8)11/h2-4,6,12H,5H2,1H3,(H,13,14).
What are the key properties of 2-[2-bromo-4-(hydroxymethyl)phenyl]propanoic acid?
2-[2-bromo-4-(hydroxymethyl)phenyl]propanoic acid has a molecular weight of 259.10 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(hydroxymethyl)phenyl]propanoic acid is sourced from PubChem (CID 84806104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).