3-(5-bromo-2-methoxyphenyl)propanoic acid

C10H11BrO3 — CID 22685184

IUPAC3-(5-bromo-2-methoxyphenyl)propanoic acid
SMILESCOc1ccc(Br)cc1CCC(=O)O
InChIInChI=1S/C10H11BrO3/c1-14-9-4-3-8(11)6-7(9)2-5-10(12)13/h3-4,6H,2,5H2,1H3,(H,12,13)
InChIKeyRCLIOLQUIYTUPY-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.47
Rot. Bonds4

About 3-(5-bromo-2-methoxyphenyl)propanoic acid

3-(5-bromo-2-methoxyphenyl)propanoic acid (PubChem CID 22685184) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is 3-(5-bromo-2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(5-bromo-2-methoxyphenyl)propanoic acid
PubChem CID22685184
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name3-(5-bromo-2-methoxyphenyl)propanoic acid
SMILESCOc1ccc(Br)cc1CCC(=O)O
InChIInChI=1S/C10H11BrO3/c1-14-9-4-3-8(11)6-7(9)2-5-10(12)13/h3-4,6H,2,5H2,1H3,(H,12,13)
InChIKeyRCLIOLQUIYTUPY-UHFFFAOYSA-N
XLogP2.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methoxyphenyl)propanoic acid?
The IUPAC name of 3-(5-bromo-2-methoxyphenyl)propanoic acid (CID 22685184) is 3-(5-bromo-2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(5-bromo-2-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-(5-bromo-2-methoxyphenyl)propanoic acid is COc1ccc(Br)cc1CCC(=O)O.
What is the InChIKey of 3-(5-bromo-2-methoxyphenyl)propanoic acid?
The InChIKey is RCLIOLQUIYTUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-14-9-4-3-8(11)6-7(9)2-5-10(12)13/h3-4,6H,2,5H2,1H3,(H,12,13).
What are the key properties of 3-(5-bromo-2-methoxyphenyl)propanoic acid?
3-(5-bromo-2-methoxyphenyl)propanoic acid has a molecular weight of 259.10 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 22685184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).