1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanol

C13H20O3 — CID 115789569

IUPAC1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanol
SMILESCc1cc(C(O)CC2CCOCC2)c(C)o1
InChIInChI=1S/C13H20O3/c1-9-7-12(10(2)16-9)13(14)8-11-3-5-15-6-4-11/h7,11,13-14H,3-6,8H2,1-2H3
InChIKeyZFKBGOPPRQBMJL-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.75
Rot. Bonds3

About 1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanol

1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanol (PubChem CID 115789569) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanol
PubChem CID115789569
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanol
SMILESCc1cc(C(O)CC2CCOCC2)c(C)o1
InChIInChI=1S/C13H20O3/c1-9-7-12(10(2)16-9)13(14)8-11-3-5-15-6-4-11/h7,11,13-14H,3-6,8H2,1-2H3
InChIKeyZFKBGOPPRQBMJL-UHFFFAOYSA-N
XLogP2.75
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylfuran-3-yl)-(oxan-4-yl)methanol
CID 115797622
1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanamine
CID 115846874
1-(2-fluoro-5-methylphenyl)-2-(oxan-4-yl)ethanol
CID 115789568
[2-cyclobutyl-1-(2,5-dimethylfuran-3-yl)ethyl]hydrazine
CID 105310050
1-(2,5-dimethylfuran-3-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60919899
1-(2,5-dimethylfuran-3-yl)pentan-1-ol
CID 115783226
1-(3-chloro-4-methylphenyl)-2-(oxan-4-yl)ethanol
CID 115789651
1-(2-bromofuran-3-yl)-2-(oxan-4-yl)ethanol
CID 106859167
1-(3,4-dimethylphenyl)-3-(oxan-4-yl)propan-2-ol
CID 62899788
1-(2-methylthiophen-3-yl)-2-(oxolan-3-yl)ethanol
CID 102831550
1-(6-methyl-3-pyridinyl)-2-(oxan-4-yl)ethanol
CID 104823049
1-(2,5-dimethylfuran-3-yl)-2-ethoxyethanol
CID 115818657

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanol?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanol (CID 115789569) is 1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanol.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanol?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanol is Cc1cc(C(O)CC2CCOCC2)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanol?
The InChIKey is ZFKBGOPPRQBMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-9-7-12(10(2)16-9)13(14)8-11-3-5-15-6-4-11/h7,11,13-14H,3-6,8H2,1-2H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanol?
1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanol has a molecular weight of 224.30 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanol is sourced from PubChem (CID 115789569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).