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

C17H25FO2 — CID 116755215

IUPAC1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluorophenyl)ethanol
SMILESCCOC1(C(O)Cc2ccc(F)cc2)CCCC(C)C1
InChIInChI=1S/C17H25FO2/c1-3-20-17(10-4-5-13(2)12-17)16(19)11-14-6-8-15(18)9-7-14/h6-9,13,16,19H,3-5,10-12H2,1-2H3
InChIKeySPLWQHOVBZTWLT-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.71
Rot. Bonds5

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

1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluorophenyl)ethanol (PubChem CID 116755215) has the molecular formula C17H25FO2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluorophenyl)ethanol
PubChem CID116755215
Molecular FormulaC17H25FO2
Molecular Weight280.38 g/mol
Exact Mass280.18
IUPAC Name1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluorophenyl)ethanol
SMILESCCOC1(C(O)Cc2ccc(F)cc2)CCCC(C)C1
InChIInChI=1S/C17H25FO2/c1-3-20-17(10-4-5-13(2)12-17)16(19)11-14-6-8-15(18)9-7-14/h6-9,13,16,19H,3-5,10-12H2,1-2H3
InChIKeySPLWQHOVBZTWLT-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

2-(3-bromo-4-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116755187
2-(2-chloro-3-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116755178
1-(1-ethoxy-3-methylcyclohexyl)-4-phenylbutan-1-ol
CID 116755271
1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol
CID 116755188
2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116768047
2-(4-fluorophenyl)-1-(1-methoxycyclopentyl)ethanol
CID 104610295
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348409
1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine
CID 116768003
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-iodophenyl)-N-methylethanamine
CID 116768271
(2,4-difluorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanamine
CID 116768109
2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 102619404
(1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol
CID 116754846

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluorophenyl)ethanol?
The IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluorophenyl)ethanol (CID 116755215) is 1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluorophenyl)ethanol is CCOC1(C(O)Cc2ccc(F)cc2)CCCC(C)C1.
What is the InChIKey of 1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluorophenyl)ethanol?
The InChIKey is SPLWQHOVBZTWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FO2/c1-3-20-17(10-4-5-13(2)12-17)16(19)11-14-6-8-15(18)9-7-14/h6-9,13,16,19H,3-5,10-12H2,1-2H3.
What are the key properties of 1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluorophenyl)ethanol?
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-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-3-methylcyclohexyl)-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 116755215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).