4-ethyl-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol

C15H21FO2 — CID 107170256

IUPAC4-ethyl-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
SMILESCCC1CCC(O)C(Oc2ccc(C)c(F)c2)C1
InChIInChI=1S/C15H21FO2/c1-3-11-5-7-14(17)15(8-11)18-12-6-4-10(2)13(16)9-12/h4,6,9,11,14-15,17H,3,5,7-8H2,1-2H3
InChIKeyZDQLPMNIQMZILG-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.45
Rot. Bonds3

About 4-ethyl-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol

4-ethyl-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol (PubChem CID 107170256) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is 4-ethyl-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
PubChem CID107170256
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Name4-ethyl-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
SMILESCCC1CCC(O)C(Oc2ccc(C)c(F)c2)C1
InChIInChI=1S/C15H21FO2/c1-3-11-5-7-14(17)15(8-11)18-12-6-4-10(2)13(16)9-12/h4,6,9,11,14-15,17H,3,5,7-8H2,1-2H3
InChIKeyZDQLPMNIQMZILG-UHFFFAOYSA-N
XLogP3.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol
CID 63472705
trans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170041
2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170051
4-ethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclohexan-1-ol
CID 63465955
3-(3-fluoro-4-methylphenoxy)oxan-4-ol
CID 107170261
[2-(3,4-dimethylphenoxy)-4-ethylcyclohexyl]methanamine
CID 43293944
2-(3,4-dimethylphenoxy)cyclobutan-1-ol
CID 164664143
2-(3,4-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile
CID 43292301
(3-ethylcyclopentyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128518
(3-fluoro-4-methylphenyl) 4-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexane-1-carboxylate
CID 139868816
4-tert-butyl-2-(3,4-dimethylphenoxy)cyclohexan-1-ol
CID 63472729
2-ethyl-3-(3-fluoro-4-methylphenoxy)-2-methylcyclobutan-1-ol
CID 107171617

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol (CID 107170256) is 4-ethyl-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol is CCC1CCC(O)C(Oc2ccc(C)c(F)c2)C1.
What is the InChIKey of 4-ethyl-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol?
The InChIKey is ZDQLPMNIQMZILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2/c1-3-11-5-7-14(17)15(8-11)18-12-6-4-10(2)13(16)9-12/h4,6,9,11,14-15,17H,3,5,7-8H2,1-2H3.
What are the key properties of 4-ethyl-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol?
4-ethyl-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol has a molecular weight of 252.33 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol is sourced from PubChem (CID 107170256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).