1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanol

C14H22O2 — CID 83174876

IUPAC1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanol
SMILESCC1(C)CCC(C(O)Cc2ccoc2)CC1
InChIInChI=1S/C14H22O2/c1-14(2)6-3-12(4-7-14)13(15)9-11-5-8-16-10-11/h5,8,10,12-13,15H,3-4,6-7,9H2,1-2H3
InChIKeyDYSVEQBSELSFTA-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.40
Rot. Bonds3

About 1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanol

1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanol (PubChem CID 83174876) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanol.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanol
PubChem CID83174876
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanol
SMILESCC1(C)CCC(C(O)Cc2ccoc2)CC1
InChIInChI=1S/C14H22O2/c1-14(2)6-3-12(4-7-14)13(15)9-11-5-8-16-10-11/h5,8,10,12-13,15H,3-4,6-7,9H2,1-2H3
InChIKeyDYSVEQBSELSFTA-UHFFFAOYSA-N
XLogP3.40
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanamine
CID 83176155
1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)-N-methylethanamine
CID 83174667
1-(2,2-dimethylcyclopentyl)-2-(furan-3-yl)ethanol
CID 107192815
2-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 65389818
2-(furan-3-yl)-1-(oxolan-2-yl)ethanol
CID 83172570
1-(4,4-dimethylcyclohexyl)-N-(furan-3-ylmethyl)methanamine
CID 115774680
1-cyclohexyl-3-(furan-3-yl)propane-1,2-diol
CID 103458978
2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 65390212
1-(furan-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 83183625
4-(furan-3-yl)-3-methylbutan-2-ol
CID 83182885
1-cyclohexyl-2-(furan-3-ylmethylamino)ethanol;hydrochloride
CID 115608900
2-(2-chloro-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 102618021

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanol?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanol (CID 83174876) is 1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanol.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanol?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanol is CC1(C)CCC(C(O)Cc2ccoc2)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanol?
The InChIKey is DYSVEQBSELSFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-14(2)6-3-12(4-7-14)13(15)9-11-5-8-16-10-11/h5,8,10,12-13,15H,3-4,6-7,9H2,1-2H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanol?
1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanol has a molecular weight of 222.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanol is sourced from PubChem (CID 83174876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).