1-(1-ethoxy-4-methylcyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanol

C18H27FO2 — CID 105373590

IUPAC1-(1-ethoxy-4-methylcyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanol
SMILESCCOC1(C(O)Cc2cc(F)ccc2C)CCC(C)CC1
InChIInChI=1S/C18H27FO2/c1-4-21-18(9-7-13(2)8-10-18)17(20)12-15-11-16(19)6-5-14(15)3/h5-6,11,13,17,20H,4,7-10,12H2,1-3H3
InChIKeyDESBZNYIPBOJKQ-UHFFFAOYSA-N
MW294.41 g/mol
LogP4.02
Rot. Bonds5

About 1-(1-ethoxy-4-methylcyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanol

1-(1-ethoxy-4-methylcyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanol (PubChem CID 105373590) has the molecular formula C18H27FO2 and a molecular weight of 294.41 g/mol. Its IUPAC name is 1-(1-ethoxy-4-methylcyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(1-ethoxy-4-methylcyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanol
PubChem CID105373590
Molecular FormulaC18H27FO2
Molecular Weight294.41 g/mol
Exact Mass294.20
IUPAC Name1-(1-ethoxy-4-methylcyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanol
SMILESCCOC1(C(O)Cc2cc(F)ccc2C)CCC(C)CC1
InChIInChI=1S/C18H27FO2/c1-4-21-18(9-7-13(2)8-10-18)17(20)12-15-11-16(19)6-5-14(15)3/h5-6,11,13,17,20H,4,7-10,12H2,1-3H3
InChIKeyDESBZNYIPBOJKQ-UHFFFAOYSA-N
XLogP4.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 105373589
1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanol
CID 116754724
1-(1-ethoxy-4-methylcyclohexyl)-2-phenylethanol
CID 116754684
(1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol
CID 116754846
2-(2-chloro-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 102618286
1-(1-ethoxy-4-methylcyclohexyl)-2-(2-methylphenyl)ethanamine
CID 116766935
(2-chloro-5-fluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methanamine
CID 105395547
2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopentyl)ethanol
CID 105377576
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 105373389
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluorophenyl)ethanol
CID 116755215
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 105374421
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348409

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanol (CID 105373590) is 1-(1-ethoxy-4-methylcyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 1-(1-ethoxy-4-methylcyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 1-(1-ethoxy-4-methylcyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanol is CCOC1(C(O)Cc2cc(F)ccc2C)CCC(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4-methylcyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanol?
The InChIKey is DESBZNYIPBOJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FO2/c1-4-21-18(9-7-13(2)8-10-18)17(20)12-15-11-16(19)6-5-14(15)3/h5-6,11,13,17,20H,4,7-10,12H2,1-3H3.
What are the key properties of 1-(1-ethoxy-4-methylcyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanol?
1-(1-ethoxy-4-methylcyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanol has a molecular weight of 294.41 g/mol, XLogP of 4.02, 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-(5-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 105373590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).