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

C13H17FO2 — CID 107170051

IUPAC2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
SMILESCc1ccc(OC2CCCCC2O)cc1F
InChIInChI=1S/C13H17FO2/c1-9-6-7-10(8-11(9)14)16-13-5-3-2-4-12(13)15/h6-8,12-13,15H,2-5H2,1H3
InChIKeyXAEMEPXXFGTIPY-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.82
Rot. Bonds2

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

2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol (PubChem CID 107170051) has the molecular formula C13H17FO2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
PubChem CID107170051
Molecular FormulaC13H17FO2
Molecular Weight224.27 g/mol
Exact Mass224.12
IUPAC Name2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
SMILESCc1ccc(OC2CCCCC2O)cc1F
InChIInChI=1S/C13H17FO2/c1-9-6-7-10(8-11(9)14)16-13-5-3-2-4-12(13)15/h6-8,12-13,15H,2-5H2,1H3
InChIKeyXAEMEPXXFGTIPY-UHFFFAOYSA-N
XLogP2.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol?
The IUPAC name of 2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol (CID 107170051) is 2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol.
What is the SMILES notation for 2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol?
The canonical SMILES for 2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol is Cc1ccc(OC2CCCCC2O)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol?
The InChIKey is XAEMEPXXFGTIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-9-6-7-10(8-11(9)14)16-13-5-3-2-4-12(13)15/h6-8,12-13,15H,2-5H2,1H3.
What are the key properties of 2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol?
2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol has a molecular weight of 224.27 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol is sourced from PubChem (CID 107170051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).