2-[5-(2-hydroxyethyl)furan-2-yl]acetic acid

C8H10O4 — CID 24776537

IUPAC2-[5-(2-hydroxyethyl)furan-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(CCO)o1
InChIInChI=1S/C8H10O4/c9-4-3-6-1-2-7(12-6)5-8(10)11/h1-2,9H,3-5H2,(H,10,11)
InChIKeyQWLLYAHKDUIWRK-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.44
Rot. Bonds4

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

2-[5-(2-hydroxyethyl)furan-2-yl]acetic acid (PubChem CID 24776537) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 2-[5-(2-hydroxyethyl)furan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-hydroxyethyl)furan-2-yl]acetic acid
PubChem CID24776537
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name2-[5-(2-hydroxyethyl)furan-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(CCO)o1
InChIInChI=1S/C8H10O4/c9-4-3-6-1-2-7(12-6)5-8(10)11/h1-2,9H,3-5H2,(H,10,11)
InChIKeyQWLLYAHKDUIWRK-UHFFFAOYSA-N
XLogP0.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-hydroxyethyl)furan-2-yl]acetic acid?
The IUPAC name of 2-[5-(2-hydroxyethyl)furan-2-yl]acetic acid (CID 24776537) is 2-[5-(2-hydroxyethyl)furan-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-hydroxyethyl)furan-2-yl]acetic acid?
The canonical SMILES for 2-[5-(2-hydroxyethyl)furan-2-yl]acetic acid is O=C(O)Cc1ccc(CCO)o1.
What is the InChIKey of 2-[5-(2-hydroxyethyl)furan-2-yl]acetic acid?
The InChIKey is QWLLYAHKDUIWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c9-4-3-6-1-2-7(12-6)5-8(10)11/h1-2,9H,3-5H2,(H,10,11).
What are the key properties of 2-[5-(2-hydroxyethyl)furan-2-yl]acetic acid?
2-[5-(2-hydroxyethyl)furan-2-yl]acetic acid has a molecular weight of 170.16 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-hydroxyethyl)furan-2-yl]acetic acid is sourced from PubChem (CID 24776537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).