2-(furan-3-yl)ethanol

C6H8O2 — CID 642100

IUPAC2-(furan-3-yl)ethanol
SMILESOCCc1ccoc1
InChIInChI=1S/C6H8O2/c7-3-1-6-2-4-8-5-6/h2,4-5,7H,1,3H2
InChIKeyXXBVEGKVQYREKW-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.81
Rot. Bonds2

About 2-(furan-3-yl)ethanol

2-(furan-3-yl)ethanol (PubChem CID 642100) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-(furan-3-yl)ethanol.

Molecular Properties

Compound Name2-(furan-3-yl)ethanol
PubChem CID642100
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name2-(furan-3-yl)ethanol
SMILESOCCc1ccoc1
InChIInChI=1S/C6H8O2/c7-3-1-6-2-4-8-5-6/h2,4-5,7H,1,3H2
InChIKeyXXBVEGKVQYREKW-UHFFFAOYSA-N
XLogP0.81
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)ethanol?
The IUPAC name of 2-(furan-3-yl)ethanol (CID 642100) is 2-(furan-3-yl)ethanol.
What is the SMILES notation for 2-(furan-3-yl)ethanol?
The canonical SMILES for 2-(furan-3-yl)ethanol is OCCc1ccoc1.
What is the InChIKey of 2-(furan-3-yl)ethanol?
The InChIKey is XXBVEGKVQYREKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c7-3-1-6-2-4-8-5-6/h2,4-5,7H,1,3H2.
What are the key properties of 2-(furan-3-yl)ethanol?
2-(furan-3-yl)ethanol has a molecular weight of 112.13 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)ethanol is sourced from PubChem (CID 642100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).