3-fluoro-2-(1-hydroxycyclohexyl)phenol

C12H15FO2 — CID 117104238

IUPAC3-fluoro-2-(1-hydroxycyclohexyl)phenol
SMILESOc1cccc(F)c1C1(O)CCCCC1
InChIInChI=1S/C12H15FO2/c13-9-5-4-6-10(14)11(9)12(15)7-2-1-3-8-12/h4-6,14-15H,1-3,7-8H2
InChIKeyHXYHRLUTZKTFQA-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.68
Rot. Bonds1

About 3-fluoro-2-(1-hydroxycyclohexyl)phenol

3-fluoro-2-(1-hydroxycyclohexyl)phenol (PubChem CID 117104238) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-fluoro-2-(1-hydroxycyclohexyl)phenol.

Molecular Properties

Compound Name3-fluoro-2-(1-hydroxycyclohexyl)phenol
PubChem CID117104238
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name3-fluoro-2-(1-hydroxycyclohexyl)phenol
SMILESOc1cccc(F)c1C1(O)CCCCC1
InChIInChI=1S/C12H15FO2/c13-9-5-4-6-10(14)11(9)12(15)7-2-1-3-8-12/h4-6,14-15H,1-3,7-8H2
InChIKeyHXYHRLUTZKTFQA-UHFFFAOYSA-N
XLogP2.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(1-hydroxycyclohexyl)phenol?
The IUPAC name of 3-fluoro-2-(1-hydroxycyclohexyl)phenol (CID 117104238) is 3-fluoro-2-(1-hydroxycyclohexyl)phenol.
What is the SMILES notation for 3-fluoro-2-(1-hydroxycyclohexyl)phenol?
The canonical SMILES for 3-fluoro-2-(1-hydroxycyclohexyl)phenol is Oc1cccc(F)c1C1(O)CCCCC1.
What is the InChIKey of 3-fluoro-2-(1-hydroxycyclohexyl)phenol?
The InChIKey is HXYHRLUTZKTFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c13-9-5-4-6-10(14)11(9)12(15)7-2-1-3-8-12/h4-6,14-15H,1-3,7-8H2.
What are the key properties of 3-fluoro-2-(1-hydroxycyclohexyl)phenol?
3-fluoro-2-(1-hydroxycyclohexyl)phenol has a molecular weight of 210.25 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(1-hydroxycyclohexyl)phenol is sourced from PubChem (CID 117104238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).