furan-3-yl-(4-methylcyclohexyl)methanone

C12H16O2 — CID 63947942

IUPACfuran-3-yl-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)c2ccoc2)CC1
InChIInChI=1S/C12H16O2/c1-9-2-4-10(5-3-9)12(13)11-6-7-14-8-11/h6-10H,2-5H2,1H3
InChIKeyNKHSYESQCMJQNO-UHFFFAOYSA-N
MW192.26 g/mol
LogP3.29
Rot. Bonds2

About furan-3-yl-(4-methylcyclohexyl)methanone

furan-3-yl-(4-methylcyclohexyl)methanone (PubChem CID 63947942) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is furan-3-yl-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Namefuran-3-yl-(4-methylcyclohexyl)methanone
PubChem CID63947942
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Namefuran-3-yl-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)c2ccoc2)CC1
InChIInChI=1S/C12H16O2/c1-9-2-4-10(5-3-9)12(13)11-6-7-14-8-11/h6-10H,2-5H2,1H3
InChIKeyNKHSYESQCMJQNO-UHFFFAOYSA-N
XLogP3.29
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

furan-3-yl-(4-propan-2-ylcyclohexyl)methanone
CID 65423106
furan-3-yl(pyrrolidin-3-yl)methanone
CID 116568441
furan-3-yl(piperidin-3-yl)methanone
CID 116548121
6-bicyclo[3.1.0]hexanyl(furan-3-yl)methanone
CID 114971785
furan-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171938762
(4-ethylphenyl)-(4-methylcyclohexyl)methanone
CID 63409487
1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083728
2-(furan-3-yl)-1-(3-methylcyclopentyl)ethanone
CID 83171833
(2,6-dimethylpiperidin-1-yl)-(furan-3-yl)methanone
CID 128538257
(4-fluoro-3-methylphenyl)-(4-methylcyclohexyl)methanone
CID 62790630
2-cyclopropyl-1-(furan-3-yl)propan-1-one
CID 114971750
(2,6-dimethylmorpholin-4-yl)-(furan-3-yl)methanone
CID 42922601

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-(4-methylcyclohexyl)methanone?
The IUPAC name of furan-3-yl-(4-methylcyclohexyl)methanone (CID 63947942) is furan-3-yl-(4-methylcyclohexyl)methanone.
What is the SMILES notation for furan-3-yl-(4-methylcyclohexyl)methanone?
The canonical SMILES for furan-3-yl-(4-methylcyclohexyl)methanone is CC1CCC(C(=O)c2ccoc2)CC1.
What is the InChIKey of furan-3-yl-(4-methylcyclohexyl)methanone?
The InChIKey is NKHSYESQCMJQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9-2-4-10(5-3-9)12(13)11-6-7-14-8-11/h6-10H,2-5H2,1H3.
What are the key properties of furan-3-yl-(4-methylcyclohexyl)methanone?
furan-3-yl-(4-methylcyclohexyl)methanone has a molecular weight of 192.26 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 63947942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).