1-(3,5-dimethylcyclohexyl)-1-(furan-3-yl)ethanol

C14H22O2 — CID 115467343

IUPAC1-(3,5-dimethylcyclohexyl)-1-(furan-3-yl)ethanol
SMILESCC1CC(C)CC(C(C)(O)c2ccoc2)C1
InChIInChI=1S/C14H22O2/c1-10-6-11(2)8-13(7-10)14(3,15)12-4-5-16-9-12/h4-5,9-11,13,15H,6-8H2,1-3H3
InChIKeyJPQOIOJSTYWWAB-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.56
Rot. Bonds2

About 1-(3,5-dimethylcyclohexyl)-1-(furan-3-yl)ethanol

1-(3,5-dimethylcyclohexyl)-1-(furan-3-yl)ethanol (PubChem CID 115467343) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-1-(furan-3-yl)ethanol.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-1-(furan-3-yl)ethanol
PubChem CID115467343
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(3,5-dimethylcyclohexyl)-1-(furan-3-yl)ethanol
SMILESCC1CC(C)CC(C(C)(O)c2ccoc2)C1
InChIInChI=1S/C14H22O2/c1-10-6-11(2)8-13(7-10)14(3,15)12-4-5-16-9-12/h4-5,9-11,13,15H,6-8H2,1-3H3
InChIKeyJPQOIOJSTYWWAB-UHFFFAOYSA-N
XLogP3.56
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-1-(furan-3-yl)ethanol?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-1-(furan-3-yl)ethanol (CID 115467343) is 1-(3,5-dimethylcyclohexyl)-1-(furan-3-yl)ethanol.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-1-(furan-3-yl)ethanol?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-1-(furan-3-yl)ethanol is CC1CC(C)CC(C(C)(O)c2ccoc2)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-1-(furan-3-yl)ethanol?
The InChIKey is JPQOIOJSTYWWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10-6-11(2)8-13(7-10)14(3,15)12-4-5-16-9-12/h4-5,9-11,13,15H,6-8H2,1-3H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-1-(furan-3-yl)ethanol?
1-(3,5-dimethylcyclohexyl)-1-(furan-3-yl)ethanol has a molecular weight of 222.33 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-1-(furan-3-yl)ethanol is sourced from PubChem (CID 115467343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).