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

C14H14O3 — CID 797772

IUPAC3-[5-(4-methylphenyl)furan-2-yl]propanoic acid
SMILESCc1ccc(-c2ccc(CCC(=O)O)o2)cc1
InChIInChI=1S/C14H14O3/c1-10-2-4-11(5-3-10)13-8-6-12(17-13)7-9-14(15)16/h2-6,8H,7,9H2,1H3,(H,15,16)
InChIKeyXIEFXNUAGJCARS-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.27
Rot. Bonds4

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

3-[5-(4-methylphenyl)furan-2-yl]propanoic acid (PubChem CID 797772) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-[5-(4-methylphenyl)furan-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(4-methylphenyl)furan-2-yl]propanoic acid
PubChem CID797772
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name3-[5-(4-methylphenyl)furan-2-yl]propanoic acid
SMILESCc1ccc(-c2ccc(CCC(=O)O)o2)cc1
InChIInChI=1S/C14H14O3/c1-10-2-4-11(5-3-10)13-8-6-12(17-13)7-9-14(15)16/h2-6,8H,7,9H2,1H3,(H,15,16)
InChIKeyXIEFXNUAGJCARS-UHFFFAOYSA-N
XLogP3.27
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methylphenyl)furan-2-yl]propanoic acid?
The IUPAC name of 3-[5-(4-methylphenyl)furan-2-yl]propanoic acid (CID 797772) is 3-[5-(4-methylphenyl)furan-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(4-methylphenyl)furan-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(4-methylphenyl)furan-2-yl]propanoic acid is Cc1ccc(-c2ccc(CCC(=O)O)o2)cc1.
What is the InChIKey of 3-[5-(4-methylphenyl)furan-2-yl]propanoic acid?
The InChIKey is XIEFXNUAGJCARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-10-2-4-11(5-3-10)13-8-6-12(17-13)7-9-14(15)16/h2-6,8H,7,9H2,1H3,(H,15,16).
What are the key properties of 3-[5-(4-methylphenyl)furan-2-yl]propanoic acid?
3-[5-(4-methylphenyl)furan-2-yl]propanoic acid has a molecular weight of 230.26 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methylphenyl)furan-2-yl]propanoic acid is sourced from PubChem (CID 797772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).