(2,5-dimethylfuran-3-yl)-(oxan-4-yl)methanol

C12H18O3 — CID 115797622

IUPAC(2,5-dimethylfuran-3-yl)-(oxan-4-yl)methanol
SMILESCc1cc(C(O)C2CCOCC2)c(C)o1
InChIInChI=1S/C12H18O3/c1-8-7-11(9(2)15-8)12(13)10-3-5-14-6-4-10/h7,10,12-13H,3-6H2,1-2H3
InChIKeyVSNFUKUVMCPAGG-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.36
Rot. Bonds2

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

(2,5-dimethylfuran-3-yl)-(oxan-4-yl)methanol (PubChem CID 115797622) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(oxan-4-yl)methanol.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(oxan-4-yl)methanol
PubChem CID115797622
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(2,5-dimethylfuran-3-yl)-(oxan-4-yl)methanol
SMILESCc1cc(C(O)C2CCOCC2)c(C)o1
InChIInChI=1S/C12H18O3/c1-8-7-11(9(2)15-8)12(13)10-3-5-14-6-4-10/h7,10,12-13H,3-6H2,1-2H3
InChIKeyVSNFUKUVMCPAGG-UHFFFAOYSA-N
XLogP2.36
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanol
CID 115789569
1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanamine
CID 115846874
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(oxolan-3-yl)propan-1-amine
CID 113260741
oxan-4-yl-(2,4,6-trimethylphenyl)methanol
CID 62905510
(4-methyl-3-pyridinyl)-(oxan-4-yl)methanol
CID 66272876
1-(2,5-dimethylfuran-3-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60919899
1-(2,5-dimethylfuran-3-yl)pentan-1-ol
CID 115783226
[2-cyclobutyl-1-(2,5-dimethylfuran-3-yl)ethyl]hydrazine
CID 105310050
(5-methyl-1-benzofuran-2-yl)-(oxan-4-yl)methanol
CID 114723696
(2,4-difluorophenyl)-(oxan-4-yl)methanol
CID 62905509
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(oxan-4-yl)methanol
CID 62906919
(2-methylfuran-3-yl)-(oxolan-3-yl)methanol
CID 104789574

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(oxan-4-yl)methanol?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(oxan-4-yl)methanol (CID 115797622) is (2,5-dimethylfuran-3-yl)-(oxan-4-yl)methanol.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(oxan-4-yl)methanol?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(oxan-4-yl)methanol is Cc1cc(C(O)C2CCOCC2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(oxan-4-yl)methanol?
The InChIKey is VSNFUKUVMCPAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-8-7-11(9(2)15-8)12(13)10-3-5-14-6-4-10/h7,10,12-13H,3-6H2,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(oxan-4-yl)methanol?
(2,5-dimethylfuran-3-yl)-(oxan-4-yl)methanol has a molecular weight of 210.27 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(oxan-4-yl)methanol is sourced from PubChem (CID 115797622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).