4-(9-bicyclo[3.3.1]nonanyl)-3-fluorophenol

C15H19FO — CID 67060997

IUPAC4-(9-bicyclo[3.3.1]nonanyl)-3-fluorophenol
SMILESOc1ccc(C2C3CCCC2CCC3)c(F)c1
InChIInChI=1S/C15H19FO/c16-14-9-12(17)7-8-13(14)15-10-3-1-4-11(15)6-2-5-10/h7-11,15,17H,1-6H2
InChIKeyZQAMEFVFFCUUMT-UHFFFAOYSA-N
MW234.31 g/mol
LogP4.22
Rot. Bonds1

About 4-(9-bicyclo[3.3.1]nonanyl)-3-fluorophenol

4-(9-bicyclo[3.3.1]nonanyl)-3-fluorophenol (PubChem CID 67060997) has the molecular formula C15H19FO and a molecular weight of 234.31 g/mol. Its IUPAC name is 4-(9-bicyclo[3.3.1]nonanyl)-3-fluorophenol.

Molecular Properties

Compound Name4-(9-bicyclo[3.3.1]nonanyl)-3-fluorophenol
PubChem CID67060997
Molecular FormulaC15H19FO
Molecular Weight234.31 g/mol
Exact Mass234.14
IUPAC Name4-(9-bicyclo[3.3.1]nonanyl)-3-fluorophenol
SMILESOc1ccc(C2C3CCCC2CCC3)c(F)c1
InChIInChI=1S/C15H19FO/c16-14-9-12(17)7-8-13(14)15-10-3-1-4-11(15)6-2-5-10/h7-11,15,17H,1-6H2
InChIKeyZQAMEFVFFCUUMT-UHFFFAOYSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(9-bicyclo[3.3.1]nonanyl)-3-fluorophenol?
The IUPAC name of 4-(9-bicyclo[3.3.1]nonanyl)-3-fluorophenol (CID 67060997) is 4-(9-bicyclo[3.3.1]nonanyl)-3-fluorophenol.
What is the SMILES notation for 4-(9-bicyclo[3.3.1]nonanyl)-3-fluorophenol?
The canonical SMILES for 4-(9-bicyclo[3.3.1]nonanyl)-3-fluorophenol is Oc1ccc(C2C3CCCC2CCC3)c(F)c1.
What is the InChIKey of 4-(9-bicyclo[3.3.1]nonanyl)-3-fluorophenol?
The InChIKey is ZQAMEFVFFCUUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO/c16-14-9-12(17)7-8-13(14)15-10-3-1-4-11(15)6-2-5-10/h7-11,15,17H,1-6H2.
What are the key properties of 4-(9-bicyclo[3.3.1]nonanyl)-3-fluorophenol?
4-(9-bicyclo[3.3.1]nonanyl)-3-fluorophenol has a molecular weight of 234.31 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-bicyclo[3.3.1]nonanyl)-3-fluorophenol is sourced from PubChem (CID 67060997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).