1-[4-cyclohexyl-5-[(2-hydroxyphenyl)methyl]-2-methylfuran-3-yl]ethanone

C20H24O3 — CID 72701076

IUPAC1-[4-cyclohexyl-5-[(2-hydroxyphenyl)methyl]-2-methylfuran-3-yl]ethanone
SMILESCC(=O)c1c(C)oc(Cc2ccccc2O)c1C1CCCCC1
InChIInChI=1S/C20H24O3/c1-13(21)19-14(2)23-18(12-16-10-6-7-11-17(16)22)20(19)15-8-4-3-5-9-15/h6-7,10-11,15,22H,3-5,8-9,12H2,1-2H3
InChIKeyMCASIGRMOSBARJ-UHFFFAOYSA-N
MW312.41 g/mol
LogP5.13
Rot. Bonds4

About 1-[4-cyclohexyl-5-[(2-hydroxyphenyl)methyl]-2-methylfuran-3-yl]ethanone

1-[4-cyclohexyl-5-[(2-hydroxyphenyl)methyl]-2-methylfuran-3-yl]ethanone (PubChem CID 72701076) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[4-cyclohexyl-5-[(2-hydroxyphenyl)methyl]-2-methylfuran-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-cyclohexyl-5-[(2-hydroxyphenyl)methyl]-2-methylfuran-3-yl]ethanone
PubChem CID72701076
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name1-[4-cyclohexyl-5-[(2-hydroxyphenyl)methyl]-2-methylfuran-3-yl]ethanone
SMILESCC(=O)c1c(C)oc(Cc2ccccc2O)c1C1CCCCC1
InChIInChI=1S/C20H24O3/c1-13(21)19-14(2)23-18(12-16-10-6-7-11-17(16)22)20(19)15-8-4-3-5-9-15/h6-7,10-11,15,22H,3-5,8-9,12H2,1-2H3
InChIKeyMCASIGRMOSBARJ-UHFFFAOYSA-N
XLogP5.13
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.41
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(2-hydroxyphenyl)methyl]-2-methyl-4-(2-methylpropyl)furan-3-yl]ethanone
CID 72700952
4-cyclohexyl-2,5-dimethylfuran-3-carboxamide
CID 18407269
1-(2-cyclopentylphenyl)propan-2-one
CID 83832084
3-cyclohexyl-4-ethylbenzene-1,2-diol
CID 154435911
1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]ethanone
CID 115086783
acetic acid;copper;2-[[[(1S,2S)-2-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol
CID 11496596
5-[(2-cyclohexyl-3-hydroxyphenyl)methyl]-2-(hydroxymethyl)-3,4-dimethylphenol
CID 146236031
ethane;1-[1-[(2-hydroxyphenyl)methyl]cyclohexyl]ethanone
CID 144506588
2-cyclohexyl-3-hydroxybenzoic acid
CID 141251925
N-(1-cyclohexylethyl)-2-(2-hydroxyphenyl)acetamide
CID 79039260
5-cyclopentyl-4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 115926310
2-cyclohexyl-5,6-dihydroxy-3-methylbenzoic acid
CID 87860561

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclohexyl-5-[(2-hydroxyphenyl)methyl]-2-methylfuran-3-yl]ethanone?
The IUPAC name of 1-[4-cyclohexyl-5-[(2-hydroxyphenyl)methyl]-2-methylfuran-3-yl]ethanone (CID 72701076) is 1-[4-cyclohexyl-5-[(2-hydroxyphenyl)methyl]-2-methylfuran-3-yl]ethanone.
What is the SMILES notation for 1-[4-cyclohexyl-5-[(2-hydroxyphenyl)methyl]-2-methylfuran-3-yl]ethanone?
The canonical SMILES for 1-[4-cyclohexyl-5-[(2-hydroxyphenyl)methyl]-2-methylfuran-3-yl]ethanone is CC(=O)c1c(C)oc(Cc2ccccc2O)c1C1CCCCC1.
What is the InChIKey of 1-[4-cyclohexyl-5-[(2-hydroxyphenyl)methyl]-2-methylfuran-3-yl]ethanone?
The InChIKey is MCASIGRMOSBARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-13(21)19-14(2)23-18(12-16-10-6-7-11-17(16)22)20(19)15-8-4-3-5-9-15/h6-7,10-11,15,22H,3-5,8-9,12H2,1-2H3.
What are the key properties of 1-[4-cyclohexyl-5-[(2-hydroxyphenyl)methyl]-2-methylfuran-3-yl]ethanone?
1-[4-cyclohexyl-5-[(2-hydroxyphenyl)methyl]-2-methylfuran-3-yl]ethanone has a molecular weight of 312.41 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclohexyl-5-[(2-hydroxyphenyl)methyl]-2-methylfuran-3-yl]ethanone is sourced from PubChem (CID 72701076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).