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

C12H16O2 — CID 106829578

IUPACfuran-3-yl-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)c2ccoc2)CCCCC1
InChIInChI=1S/C12H16O2/c1-12(6-3-2-4-7-12)11(13)10-5-8-14-9-10/h5,8-9H,2-4,6-7H2,1H3
InChIKeyFCFUUDRIRSNUGZ-UHFFFAOYSA-N
MW192.26 g/mol
LogP3.43
Rot. Bonds2

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

furan-3-yl-(1-methylcyclohexyl)methanone (PubChem CID 106829578) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is furan-3-yl-(1-methylcyclohexyl)methanone.

Molecular Properties

Compound Namefuran-3-yl-(1-methylcyclohexyl)methanone
PubChem CID106829578
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Namefuran-3-yl-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)c2ccoc2)CCCCC1
InChIInChI=1S/C12H16O2/c1-12(6-3-2-4-7-12)11(13)10-5-8-14-9-10/h5,8-9H,2-4,6-7H2,1H3
InChIKeyFCFUUDRIRSNUGZ-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

furan-3-yl-(1-hydroxycycloheptyl)methanone
CID 103450360
(1-ethoxycyclopentyl)-(furan-3-yl)methanone
CID 116747796
(2-amino-1-methylcyclopentyl)-(furan-3-yl)methanone
CID 116607397
(3,5-difluorophenyl)-(1-methylcyclohexyl)methanone
CID 106829567
1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133574
1-[furan-3-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 120540079
(4-ethylpiperidin-4-yl)-(furan-3-yl)methanone
CID 116568189
(1-methylcyclohexyl)-[4-(trifluoromethyl)phenyl]methanone
CID 106829569
N-[1-(chloromethyl)cyclohexyl]furan-3-carboxamide
CID 114303305
N-(1-cyanocycloheptyl)furan-3-carboxamide
CID 54904387
1-(furan-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 43151397
(4-amino-3-fluorophenyl)-(1-methylcyclohexyl)methanone
CID 106829172

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-(1-methylcyclohexyl)methanone?
The IUPAC name of furan-3-yl-(1-methylcyclohexyl)methanone (CID 106829578) is furan-3-yl-(1-methylcyclohexyl)methanone.
What is the SMILES notation for furan-3-yl-(1-methylcyclohexyl)methanone?
The canonical SMILES for furan-3-yl-(1-methylcyclohexyl)methanone is CC1(C(=O)c2ccoc2)CCCCC1.
What is the InChIKey of furan-3-yl-(1-methylcyclohexyl)methanone?
The InChIKey is FCFUUDRIRSNUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-12(6-3-2-4-7-12)11(13)10-5-8-14-9-10/h5,8-9H,2-4,6-7H2,1H3.
What are the key properties of furan-3-yl-(1-methylcyclohexyl)methanone?
furan-3-yl-(1-methylcyclohexyl)methanone has a molecular weight of 192.26 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-(1-methylcyclohexyl)methanone is sourced from PubChem (CID 106829578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).