3-(furan-2-ylmethoxy)cyclohexan-1-one

C11H14O3 — CID 79619136

IUPAC3-(furan-2-ylmethoxy)cyclohexan-1-one
SMILESO=C1CCCC(OCc2ccco2)C1
InChIInChI=1S/C11H14O3/c12-9-3-1-4-10(7-9)14-8-11-5-2-6-13-11/h2,5-6,10H,1,3-4,7-8H2
InChIKeyHMVXHOAYDSPHOE-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.31
Rot. Bonds3

About 3-(furan-2-ylmethoxy)cyclohexan-1-one

3-(furan-2-ylmethoxy)cyclohexan-1-one (PubChem CID 79619136) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(furan-2-ylmethoxy)cyclohexan-1-one.

Molecular Properties

Compound Name3-(furan-2-ylmethoxy)cyclohexan-1-one
PubChem CID79619136
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name3-(furan-2-ylmethoxy)cyclohexan-1-one
SMILESO=C1CCCC(OCc2ccco2)C1
InChIInChI=1S/C11H14O3/c12-9-3-1-4-10(7-9)14-8-11-5-2-6-13-11/h2,5-6,10H,1,3-4,7-8H2
InChIKeyHMVXHOAYDSPHOE-UHFFFAOYSA-N
XLogP2.31
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethoxy)cyclohexan-1-one?
The IUPAC name of 3-(furan-2-ylmethoxy)cyclohexan-1-one (CID 79619136) is 3-(furan-2-ylmethoxy)cyclohexan-1-one.
What is the SMILES notation for 3-(furan-2-ylmethoxy)cyclohexan-1-one?
The canonical SMILES for 3-(furan-2-ylmethoxy)cyclohexan-1-one is O=C1CCCC(OCc2ccco2)C1.
What is the InChIKey of 3-(furan-2-ylmethoxy)cyclohexan-1-one?
The InChIKey is HMVXHOAYDSPHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c12-9-3-1-4-10(7-9)14-8-11-5-2-6-13-11/h2,5-6,10H,1,3-4,7-8H2.
What are the key properties of 3-(furan-2-ylmethoxy)cyclohexan-1-one?
3-(furan-2-ylmethoxy)cyclohexan-1-one has a molecular weight of 194.23 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethoxy)cyclohexan-1-one is sourced from PubChem (CID 79619136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).