2,5-dimethylfuran;ethanol

C8H14O2 — CID 160667580

IUPAC2,5-dimethylfuran;ethanol
SMILESCCO.Cc1ccc(C)o1
InChIInChI=1S/C6H8O.C2H6O/c1-5-3-4-6(2)7-5;1-2-3/h3-4H,1-2H3;3H,2H2,1H3
InChIKeyRMMXESIFPAGVPR-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.90
Rot. Bonds

About 2,5-dimethylfuran;ethanol

2,5-dimethylfuran;ethanol (PubChem CID 160667580) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2,5-dimethylfuran;ethanol.

Molecular Properties

Compound Name2,5-dimethylfuran;ethanol
PubChem CID160667580
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2,5-dimethylfuran;ethanol
SMILESCCO.Cc1ccc(C)o1
InChIInChI=1S/C6H8O.C2H6O/c1-5-3-4-6(2)7-5;1-2-3/h3-4H,1-2H3;3H,2H2,1H3
InChIKeyRMMXESIFPAGVPR-UHFFFAOYSA-N
XLogP1.90
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethylfuran;bis(pentane)
CID 142226685
2,5-dimethylfuran;ethyl acetate
CID 174830713
azane;(5-methylfuran-2-yl)methanol
CID 175565780
(2S)-2-(5-methylfuran-2-yl)butan-1-ol
CID 58330576
ethanol;7-oxabicyclo[2.2.1]hepta-1,3,5-triene
CID 21291280
1-(5-methylfuran-2-yl)propan-1-ol
CID 14570731
ethane;2-(5-methylfuran-2-yl)ethanol
CID 142104864
CID 174422021
CID 174422021
[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
ethanol;niobium
CID 58943010
1-(5-methylfuran-2-yl)butane-1,4-diol
CID 116861366
N-ethyl-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 130615257

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylfuran;ethanol?
The IUPAC name of 2,5-dimethylfuran;ethanol (CID 160667580) is 2,5-dimethylfuran;ethanol.
What is the SMILES notation for 2,5-dimethylfuran;ethanol?
The canonical SMILES for 2,5-dimethylfuran;ethanol is CCO.Cc1ccc(C)o1.
What is the InChIKey of 2,5-dimethylfuran;ethanol?
The InChIKey is RMMXESIFPAGVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O.C2H6O/c1-5-3-4-6(2)7-5;1-2-3/h3-4H,1-2H3;3H,2H2,1H3.
What are the key properties of 2,5-dimethylfuran;ethanol?
2,5-dimethylfuran;ethanol has a molecular weight of 142.20 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylfuran;ethanol is sourced from PubChem (CID 160667580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).