1-cyclohexyl-3-(furan-3-yl)propan-2-one

C13H18O2 — CID 115795908

IUPAC1-cyclohexyl-3-(furan-3-yl)propan-2-one
SMILESO=C(Cc1ccoc1)CC1CCCCC1
InChIInChI=1S/C13H18O2/c14-13(9-12-6-7-15-10-12)8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2
InChIKeyFCKJMHLNRSCDEN-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.36
Rot. Bonds4

About 1-cyclohexyl-3-(furan-3-yl)propan-2-one

1-cyclohexyl-3-(furan-3-yl)propan-2-one (PubChem CID 115795908) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-cyclohexyl-3-(furan-3-yl)propan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(furan-3-yl)propan-2-one
PubChem CID115795908
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-cyclohexyl-3-(furan-3-yl)propan-2-one
SMILESO=C(Cc1ccoc1)CC1CCCCC1
InChIInChI=1S/C13H18O2/c14-13(9-12-6-7-15-10-12)8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2
InChIKeyFCKJMHLNRSCDEN-UHFFFAOYSA-N
XLogP3.36
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Ipomeanol
CID 36284
1-(3-Furyl)-4-methyl-1-pentanone
CID 68381
3-(5-Methyl-2-furyl)butanal
CID 3578033
2-Phenyl-3-(2-furyl)prop-2-enal
CID 6435876
Egomaketone
CID 42978
1-(Furan-3-yl)-4-hydroxy-4,8-dimethylnonane-1,6-dione
CID 41493
1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone
CID 47945
Furanogermenone
CID 6439596
1-(5-(Furan-3-yl)-2-methyloxolan-2-yl)-4-methylpentan-2-one
CID 99899
Acrylophenone, 3-(2-furyl)-
CID 5354164
Lepalone
CID 535169
Ipomeanine
CID 100689

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(furan-3-yl)propan-2-one?
The IUPAC name of 1-cyclohexyl-3-(furan-3-yl)propan-2-one (CID 115795908) is 1-cyclohexyl-3-(furan-3-yl)propan-2-one.
What is the SMILES notation for 1-cyclohexyl-3-(furan-3-yl)propan-2-one?
The canonical SMILES for 1-cyclohexyl-3-(furan-3-yl)propan-2-one is O=C(Cc1ccoc1)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(furan-3-yl)propan-2-one?
The InChIKey is FCKJMHLNRSCDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c14-13(9-12-6-7-15-10-12)8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2.
What are the key properties of 1-cyclohexyl-3-(furan-3-yl)propan-2-one?
1-cyclohexyl-3-(furan-3-yl)propan-2-one has a molecular weight of 206.28 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(furan-3-yl)propan-2-one is sourced from PubChem (CID 115795908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).