2-cyclohexyl-1-(5-methylfuran-3-yl)ethanol

C13H20O2 — CID 115786196

IUPAC2-cyclohexyl-1-(5-methylfuran-3-yl)ethanol
SMILESCc1cc(C(O)CC2CCCCC2)co1
InChIInChI=1S/C13H20O2/c1-10-7-12(9-15-10)13(14)8-11-5-3-2-4-6-11/h7,9,11,13-14H,2-6,8H2,1H3
InChIKeyLQXWPAJMSXYOMB-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.59
Rot. Bonds3

About 2-cyclohexyl-1-(5-methylfuran-3-yl)ethanol

2-cyclohexyl-1-(5-methylfuran-3-yl)ethanol (PubChem CID 115786196) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-cyclohexyl-1-(5-methylfuran-3-yl)ethanol.

Molecular Properties

Compound Name2-cyclohexyl-1-(5-methylfuran-3-yl)ethanol
PubChem CID115786196
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-cyclohexyl-1-(5-methylfuran-3-yl)ethanol
SMILESCc1cc(C(O)CC2CCCCC2)co1
InChIInChI=1S/C13H20O2/c1-10-7-12(9-15-10)13(14)8-11-5-3-2-4-6-11/h7,9,11,13-14H,2-6,8H2,1H3
InChIKeyLQXWPAJMSXYOMB-UHFFFAOYSA-N
XLogP3.59
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(5-methylfuran-3-yl)ethanol?
The IUPAC name of 2-cyclohexyl-1-(5-methylfuran-3-yl)ethanol (CID 115786196) is 2-cyclohexyl-1-(5-methylfuran-3-yl)ethanol.
What is the SMILES notation for 2-cyclohexyl-1-(5-methylfuran-3-yl)ethanol?
The canonical SMILES for 2-cyclohexyl-1-(5-methylfuran-3-yl)ethanol is Cc1cc(C(O)CC2CCCCC2)co1.
What is the InChIKey of 2-cyclohexyl-1-(5-methylfuran-3-yl)ethanol?
The InChIKey is LQXWPAJMSXYOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-10-7-12(9-15-10)13(14)8-11-5-3-2-4-6-11/h7,9,11,13-14H,2-6,8H2,1H3.
What are the key properties of 2-cyclohexyl-1-(5-methylfuran-3-yl)ethanol?
2-cyclohexyl-1-(5-methylfuran-3-yl)ethanol has a molecular weight of 208.30 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(5-methylfuran-3-yl)ethanol is sourced from PubChem (CID 115786196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).