4-cyclohexyl-5-(trifluoromethyl)benzene-1,3-diol

C13H15F3O2 — CID 85471322

IUPAC4-cyclohexyl-5-(trifluoromethyl)benzene-1,3-diol
SMILESOc1cc(O)c(C2CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H15F3O2/c14-13(15,16)10-6-9(17)7-11(18)12(10)8-4-2-1-3-5-8/h6-8,17-18H,1-5H2
InChIKeyBYAFHGYCRSXCQR-UHFFFAOYSA-N
MW260.25 g/mol
LogP4.16
Rot. Bonds1

About 4-cyclohexyl-5-(trifluoromethyl)benzene-1,3-diol

4-cyclohexyl-5-(trifluoromethyl)benzene-1,3-diol (PubChem CID 85471322) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is 4-cyclohexyl-5-(trifluoromethyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-cyclohexyl-5-(trifluoromethyl)benzene-1,3-diol
PubChem CID85471322
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name4-cyclohexyl-5-(trifluoromethyl)benzene-1,3-diol
SMILESOc1cc(O)c(C2CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H15F3O2/c14-13(15,16)10-6-9(17)7-11(18)12(10)8-4-2-1-3-5-8/h6-8,17-18H,1-5H2
InChIKeyBYAFHGYCRSXCQR-UHFFFAOYSA-N
XLogP4.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-5-(trifluoromethyl)benzene-1,3-diol?
The IUPAC name of 4-cyclohexyl-5-(trifluoromethyl)benzene-1,3-diol (CID 85471322) is 4-cyclohexyl-5-(trifluoromethyl)benzene-1,3-diol.
What is the SMILES notation for 4-cyclohexyl-5-(trifluoromethyl)benzene-1,3-diol?
The canonical SMILES for 4-cyclohexyl-5-(trifluoromethyl)benzene-1,3-diol is Oc1cc(O)c(C2CCCCC2)c(C(F)(F)F)c1.
What is the InChIKey of 4-cyclohexyl-5-(trifluoromethyl)benzene-1,3-diol?
The InChIKey is BYAFHGYCRSXCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O2/c14-13(15,16)10-6-9(17)7-11(18)12(10)8-4-2-1-3-5-8/h6-8,17-18H,1-5H2.
What are the key properties of 4-cyclohexyl-5-(trifluoromethyl)benzene-1,3-diol?
4-cyclohexyl-5-(trifluoromethyl)benzene-1,3-diol has a molecular weight of 260.25 g/mol, XLogP of 4.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-5-(trifluoromethyl)benzene-1,3-diol is sourced from PubChem (CID 85471322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).