3-(3-bromophenoxy)-2-(furan-2-yl)propanoic acid

C13H11BrO4 — CID 117241020

IUPAC3-(3-bromophenoxy)-2-(furan-2-yl)propanoic acid
SMILESO=C(O)C(COc1cccc(Br)c1)c1ccco1
InChIInChI=1S/C13H11BrO4/c14-9-3-1-4-10(7-9)18-8-11(13(15)16)12-5-2-6-17-12/h1-7,11H,8H2,(H,15,16)
InChIKeyJGSIKINNWRHSTI-UHFFFAOYSA-N
MW311.13 g/mol
LogP3.29
Rot. Bonds5

About 3-(3-bromophenoxy)-2-(furan-2-yl)propanoic acid

3-(3-bromophenoxy)-2-(furan-2-yl)propanoic acid (PubChem CID 117241020) has the molecular formula C13H11BrO4 and a molecular weight of 311.13 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-2-(furan-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-bromophenoxy)-2-(furan-2-yl)propanoic acid
PubChem CID117241020
Molecular FormulaC13H11BrO4
Molecular Weight311.13 g/mol
Exact Mass309.98
IUPAC Name3-(3-bromophenoxy)-2-(furan-2-yl)propanoic acid
SMILESO=C(O)C(COc1cccc(Br)c1)c1ccco1
InChIInChI=1S/C13H11BrO4/c14-9-3-1-4-10(7-9)18-8-11(13(15)16)12-5-2-6-17-12/h1-7,11H,8H2,(H,15,16)
InChIKeyJGSIKINNWRHSTI-UHFFFAOYSA-N
XLogP3.29
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.13
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenoxy)-2-(furan-2-yl)propanoic acid
CID 117241019
2-(3-bromophenoxy)-N-[1-(furan-2-yl)ethyl]acetamide
CID 18196815
1-(3-bromophenoxy)-3-[[(1S)-1-(furan-2-yl)ethyl]amino]propan-2-ol
CID 81399740
4-(3-bromophenoxy)-3-hydroxybutanoic acid
CID 82093685
3-(3-bromophenoxy)-2-ethoxypropanoic acid
CID 63074820
2-(furan-2-yl)-3-sulfanylpropanoic acid
CID 117241167
(2R)-2-(furan-2-yl)butanedioic acid
CID 919498
4-(3-bromophenoxy)-2-(4-chlorophenyl)butanoic acid
CID 79430529
2-(3-bromophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]pyridine-3-carboxamide
CID 78875469
1-[2-(3-bromophenoxy)ethyl]-3-(furan-2-ylmethyl)urea
CID 47322764
2-[[2-(3-bromophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 3530351
(4S)-5-(3-bromophenoxy)-4-methylpentanamide
CID 167563643

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-2-(furan-2-yl)propanoic acid?
The IUPAC name of 3-(3-bromophenoxy)-2-(furan-2-yl)propanoic acid (CID 117241020) is 3-(3-bromophenoxy)-2-(furan-2-yl)propanoic acid.
What is the SMILES notation for 3-(3-bromophenoxy)-2-(furan-2-yl)propanoic acid?
The canonical SMILES for 3-(3-bromophenoxy)-2-(furan-2-yl)propanoic acid is O=C(O)C(COc1cccc(Br)c1)c1ccco1.
What is the InChIKey of 3-(3-bromophenoxy)-2-(furan-2-yl)propanoic acid?
The InChIKey is JGSIKINNWRHSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO4/c14-9-3-1-4-10(7-9)18-8-11(13(15)16)12-5-2-6-17-12/h1-7,11H,8H2,(H,15,16).
What are the key properties of 3-(3-bromophenoxy)-2-(furan-2-yl)propanoic acid?
3-(3-bromophenoxy)-2-(furan-2-yl)propanoic acid has a molecular weight of 311.13 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-2-(furan-2-yl)propanoic acid is sourced from PubChem (CID 117241020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).