3-[5-(4-bromophenyl)furan-2-yl]propanoic acid

C13H11BrO3 — CID 3244890

IUPAC3-[5-(4-bromophenyl)furan-2-yl]propanoic acid
SMILESO=C(O)CCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C13H11BrO3/c14-10-3-1-9(2-4-10)12-7-5-11(17-12)6-8-13(15)16/h1-5,7H,6,8H2,(H,15,16)
InChIKeyATIWCCLZIOZFAM-UHFFFAOYSA-N
MW295.13 g/mol
LogP3.73
Rot. Bonds4

About 3-[5-(4-bromophenyl)furan-2-yl]propanoic acid

3-[5-(4-bromophenyl)furan-2-yl]propanoic acid (PubChem CID 3244890) has the molecular formula C13H11BrO3 and a molecular weight of 295.13 g/mol. Its IUPAC name is 3-[5-(4-bromophenyl)furan-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(4-bromophenyl)furan-2-yl]propanoic acid
PubChem CID3244890
Molecular FormulaC13H11BrO3
Molecular Weight295.13 g/mol
Exact Mass293.99
IUPAC Name3-[5-(4-bromophenyl)furan-2-yl]propanoic acid
SMILESO=C(O)CCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C13H11BrO3/c14-10-3-1-9(2-4-10)12-7-5-11(17-12)6-8-13(15)16/h1-5,7H,6,8H2,(H,15,16)
InChIKeyATIWCCLZIOZFAM-UHFFFAOYSA-N
XLogP3.73
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(4-bromo-3-methylphenyl)furan-2-yl]propanoic acid
CID 91686816
3-[5-(3-chloro-4-fluorophenyl)furan-2-yl]propanoic acid
CID 155486740
2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]acetic acid
CID 43386061
3-[5-(4-bromophenyl)furan-2-yl]propan-1-amine
CID 170878277
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide
CID 47140638
3-(5-sulfanylfuran-2-yl)propanoic acid
CID 119087453
5-(4-bromophenyl)furan-2-carbohydrazide
CID 4697634
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2,2-diphenylacetamide
CID 17335196
1-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63032039
4-[5-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid;propane
CID 142878493
5-bromo-N-[[5-(4-bromophenyl)furan-2-yl]methyl]furan-2-carboxamide
CID 17335172
2-(4-bromophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
CID 28666456

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-bromophenyl)furan-2-yl]propanoic acid?
The IUPAC name of 3-[5-(4-bromophenyl)furan-2-yl]propanoic acid (CID 3244890) is 3-[5-(4-bromophenyl)furan-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(4-bromophenyl)furan-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(4-bromophenyl)furan-2-yl]propanoic acid is O=C(O)CCc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 3-[5-(4-bromophenyl)furan-2-yl]propanoic acid?
The InChIKey is ATIWCCLZIOZFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO3/c14-10-3-1-9(2-4-10)12-7-5-11(17-12)6-8-13(15)16/h1-5,7H,6,8H2,(H,15,16).
What are the key properties of 3-[5-(4-bromophenyl)furan-2-yl]propanoic acid?
3-[5-(4-bromophenyl)furan-2-yl]propanoic acid has a molecular weight of 295.13 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-bromophenyl)furan-2-yl]propanoic acid is sourced from PubChem (CID 3244890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).