2-(2-fluorophenoxy)-4-propan-2-ylcyclohexan-1-ol

C15H21FO2 — CID 62704875

IUPAC2-(2-fluorophenoxy)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(Oc2ccccc2F)C1
InChIInChI=1S/C15H21FO2/c1-10(2)11-7-8-13(17)15(9-11)18-14-6-4-3-5-12(14)16/h3-6,10-11,13,15,17H,7-9H2,1-2H3
InChIKeyNGAXEQYQLKBGAT-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.39
Rot. Bonds3

About 2-(2-fluorophenoxy)-4-propan-2-ylcyclohexan-1-ol

2-(2-fluorophenoxy)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 62704875) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-4-propan-2-ylcyclohexan-1-ol
PubChem CID62704875
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Name2-(2-fluorophenoxy)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(Oc2ccccc2F)C1
InChIInChI=1S/C15H21FO2/c1-10(2)11-7-8-13(17)15(9-11)18-14-6-4-3-5-12(14)16/h3-6,10-11,13,15,17H,7-9H2,1-2H3
InChIKeyNGAXEQYQLKBGAT-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-4-propan-2-ylcyclohexan-1-ol
CID 63472349
2-(2,3-difluorophenoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63500205
2-(4-tert-butylphenoxy)-4-propan-2-ylcyclohexan-1-ol
CID 63472714
2-(3,5-dimethylphenoxy)-4-propan-2-ylcyclohexan-1-ol
CID 63473085
2-(2-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine
CID 62704642
2-(5-fluoro-2-methylphenoxy)-4-propan-2-ylcyclohexan-1-amine
CID 102981024
2-(3-methylbutoxy)-4-propan-2-ylcyclohexan-1-ol
CID 62708284
2-(2-propan-2-ylphenoxy)-4-propylcyclohexan-1-ol
CID 63473096
[2-(2-fluorophenoxy)-4-methylcyclohexyl]methanamine
CID 43293926
2-(2-fluorophenoxy)cyclohexane-1-carboxylic acid
CID 82239796
4-propan-2-yl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-ol
CID 62708658
2-octan-2-yloxy-4-propan-2-ylcyclohexan-1-ol
CID 55192847

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-(2-fluorophenoxy)-4-propan-2-ylcyclohexan-1-ol (CID 62704875) is 2-(2-fluorophenoxy)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-(2-fluorophenoxy)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-(2-fluorophenoxy)-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)C(Oc2ccccc2F)C1.
What is the InChIKey of 2-(2-fluorophenoxy)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is NGAXEQYQLKBGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2/c1-10(2)11-7-8-13(17)15(9-11)18-14-6-4-3-5-12(14)16/h3-6,10-11,13,15,17H,7-9H2,1-2H3.
What are the key properties of 2-(2-fluorophenoxy)-4-propan-2-ylcyclohexan-1-ol?
2-(2-fluorophenoxy)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 252.33 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 62704875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).