1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanol

C17H25FO2 — CID 116754724

IUPAC1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanol
SMILESCCOC1(C(O)Cc2cccc(F)c2)CCC(C)CC1
InChIInChI=1S/C17H25FO2/c1-3-20-17(9-7-13(2)8-10-17)16(19)12-14-5-4-6-15(18)11-14/h4-6,11,13,16,19H,3,7-10,12H2,1-2H3
InChIKeyCPORWOWHDXUJSO-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.71
Rot. Bonds5

About 1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanol

1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanol (PubChem CID 116754724) has the molecular formula C17H25FO2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanol
PubChem CID116754724
Molecular FormulaC17H25FO2
Molecular Weight280.38 g/mol
Exact Mass280.18
IUPAC Name1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanol
SMILESCCOC1(C(O)Cc2cccc(F)c2)CCC(C)CC1
InChIInChI=1S/C17H25FO2/c1-3-20-17(9-7-13(2)8-10-17)16(19)12-14-5-4-6-15(18)11-14/h4-6,11,13,16,19H,3,7-10,12H2,1-2H3
InChIKeyCPORWOWHDXUJSO-UHFFFAOYSA-N
XLogP3.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxy-4-methylcyclohexyl)-2-phenylethanol
CID 116754684
1-(1-ethoxy-4-methylcyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373590
1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanone
CID 116749463
2-(3-bromophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754566
1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanamine
CID 116761667
1-(1-ethoxy-4-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 116754734
(1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol
CID 116754846
2-(3,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754421
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluorophenyl)ethanol
CID 116755215
2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754296
(1-ethoxy-4-methylcyclohexyl)-(3-ethoxyphenyl)methanol
CID 116754822
1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 116764071

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanol?
The IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanol (CID 116754724) is 1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanol.
What is the SMILES notation for 1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanol?
The canonical SMILES for 1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanol is CCOC1(C(O)Cc2cccc(F)c2)CCC(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanol?
The InChIKey is CPORWOWHDXUJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FO2/c1-3-20-17(9-7-13(2)8-10-17)16(19)12-14-5-4-6-15(18)11-14/h4-6,11,13,16,19H,3,7-10,12H2,1-2H3.
What are the key properties of 1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanol?
1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanol has a molecular weight of 280.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanol is sourced from PubChem (CID 116754724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).