4-[cyclohexyl(phenyl)methyl]-2H-furan-5-one

C17H20O2 — CID 14967540

IUPAC4-[cyclohexyl(phenyl)methyl]-2H-furan-5-one
SMILESO=C1OCC=C1C(c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H20O2/c18-17-15(11-12-19-17)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-4,7-8,11,14,16H,2,5-6,9-10,12H2
InChIKeyQYJMSDAXZOFDJD-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.83
Rot. Bonds3

About 4-[cyclohexyl(phenyl)methyl]-2H-furan-5-one

4-[cyclohexyl(phenyl)methyl]-2H-furan-5-one (PubChem CID 14967540) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 4-[cyclohexyl(phenyl)methyl]-2H-furan-5-one.

Molecular Properties

Compound Name4-[cyclohexyl(phenyl)methyl]-2H-furan-5-one
PubChem CID14967540
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name4-[cyclohexyl(phenyl)methyl]-2H-furan-5-one
SMILESO=C1OCC=C1C(c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H20O2/c18-17-15(11-12-19-17)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-4,7-8,11,14,16H,2,5-6,9-10,12H2
InChIKeyQYJMSDAXZOFDJD-UHFFFAOYSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-1-cyclopentylethyl]benzene
CID 102346711
(2,2-dicyclohexyl-1-phenylethyl)phosphane
CID 91484013
[2-[cycloheptyl(phenyl)methyl]phenyl]-phenylmethanone
CID 13431966
(R)-cycloheptyl(phenyl)methanol
CID 94502427
cyclohexyl(phenyl)methanamine
CID 11064121
[(2S)-2-cyclohexyl-2-phenylethyl]azanium
CID 6985274
(2R)-2-[(1S)-1-phenylethyl]cyclohexan-1-one
CID 134922507
(2R)-2-[(S)-hydroxy(phenyl)methyl]cycloheptan-1-one
CID 12754674
methane;3-methylbutan-2-ylbenzene;3-methylbutan-2-ylcyclohexane
CID 162170584
(S)-cyclopentyl(phenyl)methanol
CID 36691435
(R)-cyclopentyl(phenyl)methanol
CID 38988779
1-cyclobutylethylbenzene
CID 22024745

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(phenyl)methyl]-2H-furan-5-one?
The IUPAC name of 4-[cyclohexyl(phenyl)methyl]-2H-furan-5-one (CID 14967540) is 4-[cyclohexyl(phenyl)methyl]-2H-furan-5-one.
What is the SMILES notation for 4-[cyclohexyl(phenyl)methyl]-2H-furan-5-one?
The canonical SMILES for 4-[cyclohexyl(phenyl)methyl]-2H-furan-5-one is O=C1OCC=C1C(c1ccccc1)C1CCCCC1.
What is the InChIKey of 4-[cyclohexyl(phenyl)methyl]-2H-furan-5-one?
The InChIKey is QYJMSDAXZOFDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c18-17-15(11-12-19-17)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-4,7-8,11,14,16H,2,5-6,9-10,12H2.
What are the key properties of 4-[cyclohexyl(phenyl)methyl]-2H-furan-5-one?
4-[cyclohexyl(phenyl)methyl]-2H-furan-5-one has a molecular weight of 256.34 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(phenyl)methyl]-2H-furan-5-one is sourced from PubChem (CID 14967540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).