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

C16H26O3 — CID 116755417

IUPAC1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(furan-2-yl)ethanol
SMILESCCOC1(C(O)Cc2ccco2)CCC(C)(C)CC1
InChIInChI=1S/C16H26O3/c1-4-19-16(9-7-15(2,3)8-10-16)14(17)12-13-6-5-11-18-13/h5-6,11,14,17H,4,7-10,12H2,1-3H3
InChIKeyMBGAWUCJZYKKIO-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.56
Rot. Bonds5

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

1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(furan-2-yl)ethanol (PubChem CID 116755417) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(furan-2-yl)ethanol.

Molecular Properties

Compound Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(furan-2-yl)ethanol
PubChem CID116755417
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(furan-2-yl)ethanol
SMILESCCOC1(C(O)Cc2ccco2)CCC(C)(C)CC1
InChIInChI=1S/C16H26O3/c1-4-19-16(9-7-15(2,3)8-10-16)14(17)12-13-6-5-11-18-13/h5-6,11,14,17H,4,7-10,12H2,1-3H3
InChIKeyMBGAWUCJZYKKIO-UHFFFAOYSA-N
XLogP3.56
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethoxycyclopentyl)-2-(furan-2-yl)ethanamine
CID 116761654
2-(furan-2-yl)-1-(1-methylcyclopentyl)ethanol
CID 115830206
2-(2-chlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 116753633
1-(1-ethoxycycloheptyl)-2-thiophen-2-ylethanol
CID 116756164
2-(2,3-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 107308277
1-(1-ethoxy-4-methylcyclohexyl)-2-phenylethanol
CID 116754684
(1-ethoxycyclohexyl)-(furan-2-yl)methanamine
CID 116763590
2-(furan-2-yl)ethane-1,1-diol
CID 156698008
(2,2,6,6-tetramethylpiperidin-1-yl) 2-(furan-2-ylmethyl)-4-methyl-3-oxopentanoate
CID 11695973
2-(2-chloro-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754152
2-(furan-2-yl)-1-(1-methylcyclopropyl)ethanamine
CID 83182565
2-(2,4-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 116753637

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(furan-2-yl)ethanol?
The IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(furan-2-yl)ethanol (CID 116755417) is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(furan-2-yl)ethanol.
What is the SMILES notation for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(furan-2-yl)ethanol?
The canonical SMILES for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(furan-2-yl)ethanol is CCOC1(C(O)Cc2ccco2)CCC(C)(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(furan-2-yl)ethanol?
The InChIKey is MBGAWUCJZYKKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-4-19-16(9-7-15(2,3)8-10-16)14(17)12-13-6-5-11-18-13/h5-6,11,14,17H,4,7-10,12H2,1-3H3.
What are the key properties of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(furan-2-yl)ethanol?
1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(furan-2-yl)ethanol has a molecular weight of 266.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(furan-2-yl)ethanol is sourced from PubChem (CID 116755417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).