1-(5-methylfuran-3-yl)-2-(oxan-4-yl)ethanone

C12H16O3 — CID 114969173

IUPAC1-(5-methylfuran-3-yl)-2-(oxan-4-yl)ethanone
SMILESCc1cc(C(=O)CC2CCOCC2)co1
InChIInChI=1S/C12H16O3/c1-9-6-11(8-15-9)12(13)7-10-2-4-14-5-3-10/h6,8,10H,2-5,7H2,1H3
InChIKeySADPTSNGFUPFED-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.59
Rot. Bonds3

About 1-(5-methylfuran-3-yl)-2-(oxan-4-yl)ethanone

1-(5-methylfuran-3-yl)-2-(oxan-4-yl)ethanone (PubChem CID 114969173) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(5-methylfuran-3-yl)-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-methylfuran-3-yl)-2-(oxan-4-yl)ethanone
PubChem CID114969173
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-(5-methylfuran-3-yl)-2-(oxan-4-yl)ethanone
SMILESCc1cc(C(=O)CC2CCOCC2)co1
InChIInChI=1S/C12H16O3/c1-9-6-11(8-15-9)12(13)7-10-2-4-14-5-3-10/h6,8,10H,2-5,7H2,1H3
InChIKeySADPTSNGFUPFED-UHFFFAOYSA-N
XLogP2.59
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-5-methylphenyl)-2-(oxan-4-yl)ethanone
CID 114969186
1-(4-amino-3,5-dichlorophenyl)-2-(oxan-4-yl)ethanone
CID 116609881
1-(5-bromothiophen-3-yl)-2-(oxan-4-yl)ethanone
CID 105091941
1-(3-chloro-4-fluorophenyl)-2-(oxan-4-yl)ethanone
CID 55181010
2-(oxan-4-yl)-1-[4-(trifluoromethoxy)phenyl]ethanone
CID 114969179
1-(3-bromo-4-fluorophenyl)-2-(oxan-4-yl)ethanone
CID 82809279
1-(5-methylthiophen-2-yl)-2-(oxan-4-yl)ethanone
CID 58514655
1-(2-methoxy-4-methylphenyl)-2-(oxan-4-yl)ethanone
CID 106790346
1-(3,5-dichloro-2-pyridinyl)-2-(oxan-4-yl)ethanone
CID 79785846
1-(5-methylfuran-3-yl)-3-methylsulfanylpropan-1-one
CID 114821180
2-(oxolan-3-yl)-1-phenylethanone
CID 71757170
1-(4-ethoxyphenyl)-2-(oxolan-3-yl)ethanone
CID 103986239

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-3-yl)-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-(5-methylfuran-3-yl)-2-(oxan-4-yl)ethanone (CID 114969173) is 1-(5-methylfuran-3-yl)-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-(5-methylfuran-3-yl)-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-(5-methylfuran-3-yl)-2-(oxan-4-yl)ethanone is Cc1cc(C(=O)CC2CCOCC2)co1.
What is the InChIKey of 1-(5-methylfuran-3-yl)-2-(oxan-4-yl)ethanone?
The InChIKey is SADPTSNGFUPFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-9-6-11(8-15-9)12(13)7-10-2-4-14-5-3-10/h6,8,10H,2-5,7H2,1H3.
What are the key properties of 1-(5-methylfuran-3-yl)-2-(oxan-4-yl)ethanone?
1-(5-methylfuran-3-yl)-2-(oxan-4-yl)ethanone has a molecular weight of 208.26 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-3-yl)-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 114969173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).