1-(furan-3-yl)-1-(3-methylsulfonylcyclohexyl)ethanol

C13H20O4S — CID 113315410

IUPAC1-(furan-3-yl)-1-(3-methylsulfonylcyclohexyl)ethanol
SMILESCC(O)(c1ccoc1)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C13H20O4S/c1-13(14,11-6-7-17-9-11)10-4-3-5-12(8-10)18(2,15)16/h6-7,9-10,12,14H,3-5,8H2,1-2H3
InChIKeyLKCFOJBMQGEGEA-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.09
Rot. Bonds3

About 1-(furan-3-yl)-1-(3-methylsulfonylcyclohexyl)ethanol

1-(furan-3-yl)-1-(3-methylsulfonylcyclohexyl)ethanol (PubChem CID 113315410) has the molecular formula C13H20O4S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(furan-3-yl)-1-(3-methylsulfonylcyclohexyl)ethanol.

Molecular Properties

Compound Name1-(furan-3-yl)-1-(3-methylsulfonylcyclohexyl)ethanol
PubChem CID113315410
Molecular FormulaC13H20O4S
Molecular Weight272.37 g/mol
Exact Mass272.11
IUPAC Name1-(furan-3-yl)-1-(3-methylsulfonylcyclohexyl)ethanol
SMILESCC(O)(c1ccoc1)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C13H20O4S/c1-13(14,11-6-7-17-9-11)10-4-3-5-12(8-10)18(2,15)16/h6-7,9-10,12,14H,3-5,8H2,1-2H3
InChIKeyLKCFOJBMQGEGEA-UHFFFAOYSA-N
XLogP2.09
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylcyclohexyl)-1-(furan-3-yl)ethanol
CID 115467343
1-(2-fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-ol
CID 114832922
1-(furan-3-yl)-1-pyrrolidin-2-ylethanol
CID 115467228
2-cyclopentyl-2-(furan-3-yl)-2-hydroxyacetic acid
CID 18922058
6,6,6-trifluoro-2-(3-methylsulfonylcyclohexyl)hexan-2-ol
CID 116535923
1-cyclohexyl-2-(furan-3-yl)propan-2-ol
CID 115467190
1-(furan-3-ylmethyl)-4-methylsulfonylpiperidine
CID 121183071
trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol
CID 96581730
2,3-dimethyl-3-[(3-methylsulfonylcyclohexyl)amino]butan-2-ol
CID 103993526
(3-methylfuran-2-yl)-(3-methylsulfonylcyclohexyl)methanone
CID 104799669
N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]cyclopropanesulfonamide
CID 129354602
2-amino-2-cyclopropyl-1-(3-methylsulfonylcyclohexyl)propan-1-one
CID 116558440

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-1-(3-methylsulfonylcyclohexyl)ethanol?
The IUPAC name of 1-(furan-3-yl)-1-(3-methylsulfonylcyclohexyl)ethanol (CID 113315410) is 1-(furan-3-yl)-1-(3-methylsulfonylcyclohexyl)ethanol.
What is the SMILES notation for 1-(furan-3-yl)-1-(3-methylsulfonylcyclohexyl)ethanol?
The canonical SMILES for 1-(furan-3-yl)-1-(3-methylsulfonylcyclohexyl)ethanol is CC(O)(c1ccoc1)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of 1-(furan-3-yl)-1-(3-methylsulfonylcyclohexyl)ethanol?
The InChIKey is LKCFOJBMQGEGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4S/c1-13(14,11-6-7-17-9-11)10-4-3-5-12(8-10)18(2,15)16/h6-7,9-10,12,14H,3-5,8H2,1-2H3.
What are the key properties of 1-(furan-3-yl)-1-(3-methylsulfonylcyclohexyl)ethanol?
1-(furan-3-yl)-1-(3-methylsulfonylcyclohexyl)ethanol has a molecular weight of 272.37 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-1-(3-methylsulfonylcyclohexyl)ethanol is sourced from PubChem (CID 113315410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).