1-(furan-2-yl)-2-(3-methylcyclohexyl)oxyethanone

C13H18O3 — CID 43800878

IUPAC1-(furan-2-yl)-2-(3-methylcyclohexyl)oxyethanone
SMILESCC1CCCC(OCC(=O)c2ccco2)C1
InChIInChI=1S/C13H18O3/c1-10-4-2-5-11(8-10)16-9-12(14)13-6-3-7-15-13/h3,6-7,10-11H,2,4-5,8-9H2,1H3
InChIKeyADGWPVCWVDKHOR-UHFFFAOYSA-N
MW222.28 g/mol
LogP3.06
Rot. Bonds4

About 1-(furan-2-yl)-2-(3-methylcyclohexyl)oxyethanone

1-(furan-2-yl)-2-(3-methylcyclohexyl)oxyethanone (PubChem CID 43800878) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-(3-methylcyclohexyl)oxyethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-(3-methylcyclohexyl)oxyethanone
PubChem CID43800878
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name1-(furan-2-yl)-2-(3-methylcyclohexyl)oxyethanone
SMILESCC1CCCC(OCC(=O)c2ccco2)C1
InChIInChI=1S/C13H18O3/c1-10-4-2-5-11(8-10)16-9-12(14)13-6-3-7-15-13/h3,6-7,10-11H,2,4-5,8-9H2,1H3
InChIKeyADGWPVCWVDKHOR-UHFFFAOYSA-N
XLogP3.06
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(furan-2-yl)-2-(3-methylcyclohexyl)oxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(furan-2-yl)-2-pyrrolidin-3-yloxyethanone;hydrochloride
CID 71645185
1-(3-fluorophenyl)-2-(3-methylcyclohexyl)oxyethanone
CID 43800886
2-(3-methylcyclohexyl)oxy-1-(4-methylsulfanylphenyl)ethanone
CID 43800934
1-(1,3-benzodioxol-5-yl)-2-(3-methylcyclohexyl)oxyethanone
CID 43800920
[2-(furan-2-yl)-2-oxoethyl] methanesulfonate
CID 14292729
N-[3-(hydroxymethyl)phenyl]-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide
CID 97249076
N-[2-[(3-methylcyclohexyl)amino]ethyl]furan-2-carboxamide
CID 3156886
N-[2-[[(1S,3S)-3-methylcyclohexyl]amino]ethyl]furan-2-carboxamide
CID 7256034
tert-butyl (3S)-3-[2-(furan-2-yl)-2-oxoethoxy]pyrrolidine-1-carboxylate
CID 71629342
(2S)-2-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]-3-phenylpropanamide
CID 95624769
3-[(3-methylcyclohexyl)oxymethyl]furan-2-carboxylic acid
CID 43153163
1-(2-fluorophenyl)-3-(3-methylcyclohexyl)oxypropan-2-one
CID 43800867

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-(3-methylcyclohexyl)oxyethanone?
The IUPAC name of 1-(furan-2-yl)-2-(3-methylcyclohexyl)oxyethanone (CID 43800878) is 1-(furan-2-yl)-2-(3-methylcyclohexyl)oxyethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-(3-methylcyclohexyl)oxyethanone?
The canonical SMILES for 1-(furan-2-yl)-2-(3-methylcyclohexyl)oxyethanone is CC1CCCC(OCC(=O)c2ccco2)C1.
What is the InChIKey of 1-(furan-2-yl)-2-(3-methylcyclohexyl)oxyethanone?
The InChIKey is ADGWPVCWVDKHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-10-4-2-5-11(8-10)16-9-12(14)13-6-3-7-15-13/h3,6-7,10-11H,2,4-5,8-9H2,1H3.
What are the key properties of 1-(furan-2-yl)-2-(3-methylcyclohexyl)oxyethanone?
1-(furan-2-yl)-2-(3-methylcyclohexyl)oxyethanone has a molecular weight of 222.28 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-(3-methylcyclohexyl)oxyethanone is sourced from PubChem (CID 43800878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).