4-(cyclohexylmethyl)-5-hydroxy-5-(4-methylphenyl)furan-2-one

C18H22O3 — CID 54370153

IUPAC4-(cyclohexylmethyl)-5-hydroxy-5-(4-methylphenyl)furan-2-one
SMILESCc1ccc(C2(O)OC(=O)C=C2CC2CCCCC2)cc1
InChIInChI=1S/C18H22O3/c1-13-7-9-15(10-8-13)18(20)16(12-17(19)21-18)11-14-5-3-2-4-6-14/h7-10,12,14,20H,2-6,11H2,1H3
InChIKeyUSPPGMOEAAHWKH-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.59
Rot. Bonds3

About 4-(cyclohexylmethyl)-5-hydroxy-5-(4-methylphenyl)furan-2-one

4-(cyclohexylmethyl)-5-hydroxy-5-(4-methylphenyl)furan-2-one (PubChem CID 54370153) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-5-hydroxy-5-(4-methylphenyl)furan-2-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-5-hydroxy-5-(4-methylphenyl)furan-2-one
PubChem CID54370153
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name4-(cyclohexylmethyl)-5-hydroxy-5-(4-methylphenyl)furan-2-one
SMILESCc1ccc(C2(O)OC(=O)C=C2CC2CCCCC2)cc1
InChIInChI=1S/C18H22O3/c1-13-7-9-15(10-8-13)18(20)16(12-17(19)21-18)11-14-5-3-2-4-6-14/h7-10,12,14,20H,2-6,11H2,1H3
InChIKeyUSPPGMOEAAHWKH-UHFFFAOYSA-N
XLogP3.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethyl)-4-methylbenzene
CID 11008690
4-(2-cyclohexylethyl)-5,5-dimethylfuran-2-one
CID 10822930
2-hydroxy-2-(4-methylphenyl)-5-phenylfuran-3-one
CID 135029124
1-(cyclononylmethyl)-6-methylcyclodeca-1,3,5,7,9-pentaene
CID 91363627
2-cyclohexyl-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone
CID 121134744
4-cyclohexyl-1-(4-methylphenyl)butan-1-one
CID 10514463
4-hydroxy-2-(4-methylphenyl)-2-phenyl-3H-pyran-6-one
CID 70113074
4-(cyclohexylmethyl)benzoyl iodide
CID 163522101
4-[1,3-dioxol-4-yl-[2-hydroxy-2-(4-methoxyphenyl)-5-oxofuran-3-yl]-(4-methylphenyl)methyl]benzoic acid
CID 57288244
cycloheptyl 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 97005692
[4-(cyclohexylmethyl)phenyl]-fluoro-bis(4-methylphenyl)-λ4-sulfane
CID 139924191
3-(4-methylphenyl)-9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-ol
CID 171965002

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-5-hydroxy-5-(4-methylphenyl)furan-2-one?
The IUPAC name of 4-(cyclohexylmethyl)-5-hydroxy-5-(4-methylphenyl)furan-2-one (CID 54370153) is 4-(cyclohexylmethyl)-5-hydroxy-5-(4-methylphenyl)furan-2-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-5-hydroxy-5-(4-methylphenyl)furan-2-one?
The canonical SMILES for 4-(cyclohexylmethyl)-5-hydroxy-5-(4-methylphenyl)furan-2-one is Cc1ccc(C2(O)OC(=O)C=C2CC2CCCCC2)cc1.
What is the InChIKey of 4-(cyclohexylmethyl)-5-hydroxy-5-(4-methylphenyl)furan-2-one?
The InChIKey is USPPGMOEAAHWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-13-7-9-15(10-8-13)18(20)16(12-17(19)21-18)11-14-5-3-2-4-6-14/h7-10,12,14,20H,2-6,11H2,1H3.
What are the key properties of 4-(cyclohexylmethyl)-5-hydroxy-5-(4-methylphenyl)furan-2-one?
4-(cyclohexylmethyl)-5-hydroxy-5-(4-methylphenyl)furan-2-one has a molecular weight of 286.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-5-hydroxy-5-(4-methylphenyl)furan-2-one is sourced from PubChem (CID 54370153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).