6-[4-hydroxy-3-(trifluoromethyl)phenyl]naphthalen-1-ol

C17H11F3O2 — CID 56643459

IUPAC6-[4-hydroxy-3-(trifluoromethyl)phenyl]naphthalen-1-ol
SMILESOc1ccc(-c2ccc3c(O)cccc3c2)cc1C(F)(F)F
InChIInChI=1S/C17H11F3O2/c18-17(19,20)14-9-11(5-7-16(14)22)10-4-6-13-12(8-10)2-1-3-15(13)21/h1-9,21-22H
InChIKeyRBRJVQYANZHRMU-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.94
Rot. Bonds1

About 6-[4-hydroxy-3-(trifluoromethyl)phenyl]naphthalen-1-ol

6-[4-hydroxy-3-(trifluoromethyl)phenyl]naphthalen-1-ol (PubChem CID 56643459) has the molecular formula C17H11F3O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is 6-[4-hydroxy-3-(trifluoromethyl)phenyl]naphthalen-1-ol.

Molecular Properties

Compound Name6-[4-hydroxy-3-(trifluoromethyl)phenyl]naphthalen-1-ol
PubChem CID56643459
Molecular FormulaC17H11F3O2
Molecular Weight304.27 g/mol
Exact Mass304.07
IUPAC Name6-[4-hydroxy-3-(trifluoromethyl)phenyl]naphthalen-1-ol
SMILESOc1ccc(-c2ccc3c(O)cccc3c2)cc1C(F)(F)F
InChIInChI=1S/C17H11F3O2/c18-17(19,20)14-9-11(5-7-16(14)22)10-4-6-13-12(8-10)2-1-3-15(13)21/h1-9,21-22H
InChIKeyRBRJVQYANZHRMU-UHFFFAOYSA-N
XLogP4.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[4-hydroxy-3-(trifluoromethyl)phenyl]naphthalen-1-ol?
The IUPAC name of 6-[4-hydroxy-3-(trifluoromethyl)phenyl]naphthalen-1-ol (CID 56643459) is 6-[4-hydroxy-3-(trifluoromethyl)phenyl]naphthalen-1-ol.
What is the SMILES notation for 6-[4-hydroxy-3-(trifluoromethyl)phenyl]naphthalen-1-ol?
The canonical SMILES for 6-[4-hydroxy-3-(trifluoromethyl)phenyl]naphthalen-1-ol is Oc1ccc(-c2ccc3c(O)cccc3c2)cc1C(F)(F)F.
What is the InChIKey of 6-[4-hydroxy-3-(trifluoromethyl)phenyl]naphthalen-1-ol?
The InChIKey is RBRJVQYANZHRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3O2/c18-17(19,20)14-9-11(5-7-16(14)22)10-4-6-13-12(8-10)2-1-3-15(13)21/h1-9,21-22H.
What are the key properties of 6-[4-hydroxy-3-(trifluoromethyl)phenyl]naphthalen-1-ol?
6-[4-hydroxy-3-(trifluoromethyl)phenyl]naphthalen-1-ol has a molecular weight of 304.27 g/mol, XLogP of 4.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-hydroxy-3-(trifluoromethyl)phenyl]naphthalen-1-ol is sourced from PubChem (CID 56643459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).