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

C14H14O4 — CID 798765

IUPAC3-[5-(4-methoxyphenyl)furan-2-yl]propanoic acid
SMILESCOc1ccc(-c2ccc(CCC(=O)O)o2)cc1
InChIInChI=1S/C14H14O4/c1-17-11-4-2-10(3-5-11)13-8-6-12(18-13)7-9-14(15)16/h2-6,8H,7,9H2,1H3,(H,15,16)
InChIKeyZKWNOAWLDSIWEE-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.97
Rot. Bonds5

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

3-[5-(4-methoxyphenyl)furan-2-yl]propanoic acid (PubChem CID 798765) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)furan-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(4-methoxyphenyl)furan-2-yl]propanoic acid
PubChem CID798765
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name3-[5-(4-methoxyphenyl)furan-2-yl]propanoic acid
SMILESCOc1ccc(-c2ccc(CCC(=O)O)o2)cc1
InChIInChI=1S/C14H14O4/c1-17-11-4-2-10(3-5-11)13-8-6-12(18-13)7-9-14(15)16/h2-6,8H,7,9H2,1H3,(H,15,16)
InChIKeyZKWNOAWLDSIWEE-UHFFFAOYSA-N
XLogP2.97
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxyphenyl)furan-2-yl]propanoic acid?
The IUPAC name of 3-[5-(4-methoxyphenyl)furan-2-yl]propanoic acid (CID 798765) is 3-[5-(4-methoxyphenyl)furan-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(4-methoxyphenyl)furan-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(4-methoxyphenyl)furan-2-yl]propanoic acid is COc1ccc(-c2ccc(CCC(=O)O)o2)cc1.
What is the InChIKey of 3-[5-(4-methoxyphenyl)furan-2-yl]propanoic acid?
The InChIKey is ZKWNOAWLDSIWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-17-11-4-2-10(3-5-11)13-8-6-12(18-13)7-9-14(15)16/h2-6,8H,7,9H2,1H3,(H,15,16).
What are the key properties of 3-[5-(4-methoxyphenyl)furan-2-yl]propanoic acid?
3-[5-(4-methoxyphenyl)furan-2-yl]propanoic acid has a molecular weight of 246.26 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxyphenyl)furan-2-yl]propanoic acid is sourced from PubChem (CID 798765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).