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

C13H12O3 — CID 35754290

IUPAC2-[5-(3-methylphenyl)furan-2-yl]acetic acid
SMILESCc1cccc(-c2ccc(CC(=O)O)o2)c1
InChIInChI=1S/C13H12O3/c1-9-3-2-4-10(7-9)12-6-5-11(16-12)8-13(14)15/h2-7H,8H2,1H3,(H,14,15)
InChIKeyJIJJGQILPFUCEY-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.88
Rot. Bonds3

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

2-[5-(3-methylphenyl)furan-2-yl]acetic acid (PubChem CID 35754290) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[5-(3-methylphenyl)furan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(3-methylphenyl)furan-2-yl]acetic acid
PubChem CID35754290
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name2-[5-(3-methylphenyl)furan-2-yl]acetic acid
SMILESCc1cccc(-c2ccc(CC(=O)O)o2)c1
InChIInChI=1S/C13H12O3/c1-9-3-2-4-10(7-9)12-6-5-11(16-12)8-13(14)15/h2-7H,8H2,1H3,(H,14,15)
InChIKeyJIJJGQILPFUCEY-UHFFFAOYSA-N
XLogP2.88
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methylphenyl)furan-2-yl]acetic acid?
The IUPAC name of 2-[5-(3-methylphenyl)furan-2-yl]acetic acid (CID 35754290) is 2-[5-(3-methylphenyl)furan-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(3-methylphenyl)furan-2-yl]acetic acid?
The canonical SMILES for 2-[5-(3-methylphenyl)furan-2-yl]acetic acid is Cc1cccc(-c2ccc(CC(=O)O)o2)c1.
What is the InChIKey of 2-[5-(3-methylphenyl)furan-2-yl]acetic acid?
The InChIKey is JIJJGQILPFUCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-9-3-2-4-10(7-9)12-6-5-11(16-12)8-13(14)15/h2-7H,8H2,1H3,(H,14,15).
What are the key properties of 2-[5-(3-methylphenyl)furan-2-yl]acetic acid?
2-[5-(3-methylphenyl)furan-2-yl]acetic acid has a molecular weight of 216.24 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methylphenyl)furan-2-yl]acetic acid is sourced from PubChem (CID 35754290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).