2-[[3-(trifluoromethyl)phenyl]methyl]naphthalen-1-ol

C18H13F3O — CID 15617859

IUPAC2-[[3-(trifluoromethyl)phenyl]methyl]naphthalen-1-ol
SMILESOc1c(Cc2cccc(C(F)(F)F)c2)ccc2ccccc12
InChIInChI=1S/C18H13F3O/c19-18(20,21)15-6-3-4-12(11-15)10-14-9-8-13-5-1-2-7-16(13)17(14)22/h1-9,11,22H,10H2
InChIKeyIARCQYGLHWJGQQ-UHFFFAOYSA-N
MW302.30 g/mol
LogP5.16
Rot. Bonds2

About 2-[[3-(trifluoromethyl)phenyl]methyl]naphthalen-1-ol

2-[[3-(trifluoromethyl)phenyl]methyl]naphthalen-1-ol (PubChem CID 15617859) has the molecular formula C18H13F3O and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)phenyl]methyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)phenyl]methyl]naphthalen-1-ol
PubChem CID15617859
Molecular FormulaC18H13F3O
Molecular Weight302.30 g/mol
Exact Mass302.09
IUPAC Name2-[[3-(trifluoromethyl)phenyl]methyl]naphthalen-1-ol
SMILESOc1c(Cc2cccc(C(F)(F)F)c2)ccc2ccccc12
InChIInChI=1S/C18H13F3O/c19-18(20,21)15-6-3-4-12(11-15)10-14-9-8-13-5-1-2-7-16(13)17(14)22/h1-9,11,22H,10H2
InChIKeyIARCQYGLHWJGQQ-UHFFFAOYSA-N
XLogP5.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.30
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methyl]naphthalen-1-ol?
The IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methyl]naphthalen-1-ol (CID 15617859) is 2-[[3-(trifluoromethyl)phenyl]methyl]naphthalen-1-ol.
What is the SMILES notation for 2-[[3-(trifluoromethyl)phenyl]methyl]naphthalen-1-ol?
The canonical SMILES for 2-[[3-(trifluoromethyl)phenyl]methyl]naphthalen-1-ol is Oc1c(Cc2cccc(C(F)(F)F)c2)ccc2ccccc12.
What is the InChIKey of 2-[[3-(trifluoromethyl)phenyl]methyl]naphthalen-1-ol?
The InChIKey is IARCQYGLHWJGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3O/c19-18(20,21)15-6-3-4-12(11-15)10-14-9-8-13-5-1-2-7-16(13)17(14)22/h1-9,11,22H,10H2.
What are the key properties of 2-[[3-(trifluoromethyl)phenyl]methyl]naphthalen-1-ol?
2-[[3-(trifluoromethyl)phenyl]methyl]naphthalen-1-ol has a molecular weight of 302.30 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)phenyl]methyl]naphthalen-1-ol is sourced from PubChem (CID 15617859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).