(2,5-dimethylfuran-3-yl)-(oxan-2-yl)methanone

C12H16O3 — CID 62214951

IUPAC(2,5-dimethylfuran-3-yl)-(oxan-2-yl)methanone
SMILESCc1cc(C(=O)C2CCCCO2)c(C)o1
InChIInChI=1S/C12H16O3/c1-8-7-10(9(2)15-8)12(13)11-5-3-4-6-14-11/h7,11H,3-6H2,1-2H3
InChIKeyLGQAPLJEDHMPBA-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.65
Rot. Bonds2

About (2,5-dimethylfuran-3-yl)-(oxan-2-yl)methanone

(2,5-dimethylfuran-3-yl)-(oxan-2-yl)methanone (PubChem CID 62214951) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(oxan-2-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(oxan-2-yl)methanone
PubChem CID62214951
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(2,5-dimethylfuran-3-yl)-(oxan-2-yl)methanone
SMILESCc1cc(C(=O)C2CCCCO2)c(C)o1
InChIInChI=1S/C12H16O3/c1-8-7-10(9(2)15-8)12(13)11-5-3-4-6-14-11/h7,11H,3-6H2,1-2H3
InChIKeyLGQAPLJEDHMPBA-UHFFFAOYSA-N
XLogP2.65
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N'-(oxolane-2-carbonyl)furan-3-carbohydrazide
CID 43006542
oxan-2-yl-(2,4,6-trimethylphenyl)methanone
CID 62214214
(3-methylphenyl)-(oxan-2-yl)methanone
CID 114962654
(2,5-dimethylfuran-3-yl)-(3-methylcyclohexyl)methanone
CID 114976383
(3,5-difluorophenyl)-(oxan-2-yl)methanone
CID 114970560
(4-methoxyphenyl)-(oxan-2-yl)methanone
CID 62212790
cyclohexanamine;2,5-dimethylfuran-3-carboxylic acid
CID 172801054
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 35523795
(5-bromo-2-methoxyphenyl)-(oxan-2-yl)methanone
CID 55048137
oxolan-2-yl-(2,4,6-trimethylphenyl)methanone
CID 43159907
(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methanone
CID 114824778
(4-hydroxyphenyl)-(oxan-2-yl)methanone
CID 67839565

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(oxan-2-yl)methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(oxan-2-yl)methanone (CID 62214951) is (2,5-dimethylfuran-3-yl)-(oxan-2-yl)methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(oxan-2-yl)methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(oxan-2-yl)methanone is Cc1cc(C(=O)C2CCCCO2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(oxan-2-yl)methanone?
The InChIKey is LGQAPLJEDHMPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-8-7-10(9(2)15-8)12(13)11-5-3-4-6-14-11/h7,11H,3-6H2,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(oxan-2-yl)methanone?
(2,5-dimethylfuran-3-yl)-(oxan-2-yl)methanone has a molecular weight of 208.26 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(oxan-2-yl)methanone is sourced from PubChem (CID 62214951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).