2-(3-bromophenoxy)propanoic acid

C9H9BrO3 — CID 608101

IUPAC2-(3-bromophenoxy)propanoic acid
SMILESCC(Oc1cccc(Br)c1)C(=O)O
InChIInChI=1S/C9H9BrO3/c1-6(9(11)12)13-8-4-2-3-7(10)5-8/h2-6H,1H3,(H,11,12)
InChIKeyCVTUTWGZPGJAQL-UHFFFAOYSA-N
MW245.07 g/mol
LogP2.30
Rot. Bonds3

About 2-(3-bromophenoxy)propanoic acid

2-(3-bromophenoxy)propanoic acid (PubChem CID 608101) has the molecular formula C9H9BrO3 and a molecular weight of 245.07 g/mol. Its IUPAC name is 2-(3-bromophenoxy)propanoic acid.

Molecular Properties

Compound Name2-(3-bromophenoxy)propanoic acid
PubChem CID608101
Molecular FormulaC9H9BrO3
Molecular Weight245.07 g/mol
Exact Mass243.97
IUPAC Name2-(3-bromophenoxy)propanoic acid
SMILESCC(Oc1cccc(Br)c1)C(=O)O
InChIInChI=1S/C9H9BrO3/c1-6(9(11)12)13-8-4-2-3-7(10)5-8/h2-6H,1H3,(H,11,12)
InChIKeyCVTUTWGZPGJAQL-UHFFFAOYSA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.07
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)propanoic acid?
The IUPAC name of 2-(3-bromophenoxy)propanoic acid (CID 608101) is 2-(3-bromophenoxy)propanoic acid.
What is the SMILES notation for 2-(3-bromophenoxy)propanoic acid?
The canonical SMILES for 2-(3-bromophenoxy)propanoic acid is CC(Oc1cccc(Br)c1)C(=O)O.
What is the InChIKey of 2-(3-bromophenoxy)propanoic acid?
The InChIKey is CVTUTWGZPGJAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO3/c1-6(9(11)12)13-8-4-2-3-7(10)5-8/h2-6H,1H3,(H,11,12).
What are the key properties of 2-(3-bromophenoxy)propanoic acid?
2-(3-bromophenoxy)propanoic acid has a molecular weight of 245.07 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)propanoic acid is sourced from PubChem (CID 608101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).