3-ethyl-4,5-dimethylfuran-2-ol

C8H12O2 — CID 175576907

IUPAC3-ethyl-4,5-dimethylfuran-2-ol
SMILESCCc1c(O)oc(C)c1C
InChIInChI=1S/C8H12O2/c1-4-7-5(2)6(3)10-8(7)9/h9H,4H2,1-3H3
InChIKeyVDRJEAAWGCSROC-UHFFFAOYSA-N
MW140.18 g/mol
LogP2.16
Rot. Bonds1

About 3-ethyl-4,5-dimethylfuran-2-ol

3-ethyl-4,5-dimethylfuran-2-ol (PubChem CID 175576907) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 3-ethyl-4,5-dimethylfuran-2-ol.

Molecular Properties

Compound Name3-ethyl-4,5-dimethylfuran-2-ol
PubChem CID175576907
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name3-ethyl-4,5-dimethylfuran-2-ol
SMILESCCc1c(O)oc(C)c1C
InChIInChI=1S/C8H12O2/c1-4-7-5(2)6(3)10-8(7)9/h9H,4H2,1-3H3
InChIKeyVDRJEAAWGCSROC-UHFFFAOYSA-N
XLogP2.16
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,5-dimethylfuran-2-ol?
The IUPAC name of 3-ethyl-4,5-dimethylfuran-2-ol (CID 175576907) is 3-ethyl-4,5-dimethylfuran-2-ol.
What is the SMILES notation for 3-ethyl-4,5-dimethylfuran-2-ol?
The canonical SMILES for 3-ethyl-4,5-dimethylfuran-2-ol is CCc1c(O)oc(C)c1C.
What is the InChIKey of 3-ethyl-4,5-dimethylfuran-2-ol?
The InChIKey is VDRJEAAWGCSROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-4-7-5(2)6(3)10-8(7)9/h9H,4H2,1-3H3.
What are the key properties of 3-ethyl-4,5-dimethylfuran-2-ol?
3-ethyl-4,5-dimethylfuran-2-ol has a molecular weight of 140.18 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,5-dimethylfuran-2-ol is sourced from PubChem (CID 175576907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).