furan-3-yl-(1-methoxy-3-methylcyclohexyl)methanone

C13H18O3 — CID 116749625

IUPACfuran-3-yl-(1-methoxy-3-methylcyclohexyl)methanone
SMILESCOC1(C(=O)c2ccoc2)CCCC(C)C1
InChIInChI=1S/C13H18O3/c1-10-4-3-6-13(8-10,15-2)12(14)11-5-7-16-9-11/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKeyKDUOPIJRPPUTSS-UHFFFAOYSA-N
MW222.28 g/mol
LogP3.06
Rot. Bonds3

About furan-3-yl-(1-methoxy-3-methylcyclohexyl)methanone

furan-3-yl-(1-methoxy-3-methylcyclohexyl)methanone (PubChem CID 116749625) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is furan-3-yl-(1-methoxy-3-methylcyclohexyl)methanone.

Molecular Properties

Compound Namefuran-3-yl-(1-methoxy-3-methylcyclohexyl)methanone
PubChem CID116749625
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Namefuran-3-yl-(1-methoxy-3-methylcyclohexyl)methanone
SMILESCOC1(C(=O)c2ccoc2)CCCC(C)C1
InChIInChI=1S/C13H18O3/c1-10-4-3-6-13(8-10,15-2)12(14)11-5-7-16-9-11/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKeyKDUOPIJRPPUTSS-UHFFFAOYSA-N
XLogP3.06
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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 furan-3-yl-(1-methoxy-3-methylcyclohexyl)methanone 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

(4-cyclobutylphenyl)-(1-methoxy-3-methylcyclohexyl)methanone
CID 116749559
(1-ethylpyrazol-4-yl)-(1-methoxy-3-methylcyclohexyl)methanone
CID 116749640
(1-ethoxycyclopentyl)-(furan-3-yl)methanone
CID 116747796
(4-chloro-1-methylpyrazol-5-yl)-(1-methoxy-3-methylcyclohexyl)methanone
CID 114642790
(2-amino-1-methylcyclopentyl)-(furan-3-yl)methanone
CID 116607397
(1-ethoxy-3-methylcyclohexyl)-(3-methylphenyl)methanone
CID 116749984
2-(5-chlorothiophen-2-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749729
2-cyclobutyl-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749721
trans-(1R,3S)-N-(2-cyano-4-methoxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100757283
(1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 116749993
furan-3-yl-(1-hydroxycycloheptyl)methanone
CID 103450360
(3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone
CID 116706979

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-(1-methoxy-3-methylcyclohexyl)methanone?
The IUPAC name of furan-3-yl-(1-methoxy-3-methylcyclohexyl)methanone (CID 116749625) is furan-3-yl-(1-methoxy-3-methylcyclohexyl)methanone.
What is the SMILES notation for furan-3-yl-(1-methoxy-3-methylcyclohexyl)methanone?
The canonical SMILES for furan-3-yl-(1-methoxy-3-methylcyclohexyl)methanone is COC1(C(=O)c2ccoc2)CCCC(C)C1.
What is the InChIKey of furan-3-yl-(1-methoxy-3-methylcyclohexyl)methanone?
The InChIKey is KDUOPIJRPPUTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-10-4-3-6-13(8-10,15-2)12(14)11-5-7-16-9-11/h5,7,9-10H,3-4,6,8H2,1-2H3.
What are the key properties of furan-3-yl-(1-methoxy-3-methylcyclohexyl)methanone?
furan-3-yl-(1-methoxy-3-methylcyclohexyl)methanone has a molecular weight of 222.28 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-(1-methoxy-3-methylcyclohexyl)methanone is sourced from PubChem (CID 116749625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).