2-[4-(hydroxymethyl)phenyl]-9-(trifluoromethyl)fluoren-9-ol

C21H15F3O2 — CID 59492892

IUPAC2-[4-(hydroxymethyl)phenyl]-9-(trifluoromethyl)fluoren-9-ol
SMILESOCc1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1
InChIInChI=1S/C21H15F3O2/c22-21(23,24)20(26)18-4-2-1-3-16(18)17-10-9-15(11-19(17)20)14-7-5-13(12-25)6-8-14/h1-11,25-26H,12H2
InChIKeyXQLNLYFEXYTLPX-UHFFFAOYSA-N
MW356.34 g/mol
LogP4.62
Rot. Bonds2

About 2-[4-(hydroxymethyl)phenyl]-9-(trifluoromethyl)fluoren-9-ol

2-[4-(hydroxymethyl)phenyl]-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492892) has the molecular formula C21H15F3O2 and a molecular weight of 356.34 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)phenyl]-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)phenyl]-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492892
Molecular FormulaC21H15F3O2
Molecular Weight356.34 g/mol
Exact Mass356.10
IUPAC Name2-[4-(hydroxymethyl)phenyl]-9-(trifluoromethyl)fluoren-9-ol
SMILESOCc1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1
InChIInChI=1S/C21H15F3O2/c22-21(23,24)20(26)18-4-2-1-3-16(18)17-10-9-15(11-19(17)20)14-7-5-13(12-25)6-8-14/h1-11,25-26H,12H2
InChIKeyXQLNLYFEXYTLPX-UHFFFAOYSA-N
XLogP4.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)phenyl]-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-[4-(hydroxymethyl)phenyl]-9-(trifluoromethyl)fluoren-9-ol (CID 59492892) is 2-[4-(hydroxymethyl)phenyl]-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-[4-(hydroxymethyl)phenyl]-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-[4-(hydroxymethyl)phenyl]-9-(trifluoromethyl)fluoren-9-ol is OCc1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1.
What is the InChIKey of 2-[4-(hydroxymethyl)phenyl]-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is XQLNLYFEXYTLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3O2/c22-21(23,24)20(26)18-4-2-1-3-16(18)17-10-9-15(11-19(17)20)14-7-5-13(12-25)6-8-14/h1-11,25-26H,12H2.
What are the key properties of 2-[4-(hydroxymethyl)phenyl]-9-(trifluoromethyl)fluoren-9-ol?
2-[4-(hydroxymethyl)phenyl]-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 356.34 g/mol, XLogP of 4.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)phenyl]-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).