4-tert-butyl-5-(trifluoromethyl)naphthalen-2-ol

C15H15F3O — CID 169009511

IUPAC4-tert-butyl-5-(trifluoromethyl)naphthalen-2-ol
SMILESCC(C)(C)c1cc(O)cc2cccc(C(F)(F)F)c12
InChIInChI=1S/C15H15F3O/c1-14(2,3)12-8-10(19)7-9-5-4-6-11(13(9)12)15(16,17)18/h4-8,19H,1-3H3
InChIKeyODJMOJLQHPKKLY-UHFFFAOYSA-N
MW268.28 g/mol
LogP4.86
Rot. Bonds

About 4-tert-butyl-5-(trifluoromethyl)naphthalen-2-ol

4-tert-butyl-5-(trifluoromethyl)naphthalen-2-ol (PubChem CID 169009511) has the molecular formula C15H15F3O and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-tert-butyl-5-(trifluoromethyl)naphthalen-2-ol.

Molecular Properties

Compound Name4-tert-butyl-5-(trifluoromethyl)naphthalen-2-ol
PubChem CID169009511
Molecular FormulaC15H15F3O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name4-tert-butyl-5-(trifluoromethyl)naphthalen-2-ol
SMILESCC(C)(C)c1cc(O)cc2cccc(C(F)(F)F)c12
InChIInChI=1S/C15H15F3O/c1-14(2,3)12-8-10(19)7-9-5-4-6-11(13(9)12)15(16,17)18/h4-8,19H,1-3H3
InChIKeyODJMOJLQHPKKLY-UHFFFAOYSA-N
XLogP4.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-tert-butyl-5-cyclopropyl-6-fluoronaphthalen-2-ol
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4-tert-butyl-7-deuterio-5-ethyl-6-fluoronaphthalen-2-ol
CID 177267540
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CID 172514358
1-tert-butyl-2-chloro-3-(trifluoromethyl)benzene
CID 58837040
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CID 140674457
4,9-ditert-butylphenanthrene
CID 140702343
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3-tert-butyl-N-ethyl-8-(trifluoromethyl)quinolin-2-amine
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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-(trifluoromethyl)naphthalen-2-ol?
The IUPAC name of 4-tert-butyl-5-(trifluoromethyl)naphthalen-2-ol (CID 169009511) is 4-tert-butyl-5-(trifluoromethyl)naphthalen-2-ol.
What is the SMILES notation for 4-tert-butyl-5-(trifluoromethyl)naphthalen-2-ol?
The canonical SMILES for 4-tert-butyl-5-(trifluoromethyl)naphthalen-2-ol is CC(C)(C)c1cc(O)cc2cccc(C(F)(F)F)c12.
What is the InChIKey of 4-tert-butyl-5-(trifluoromethyl)naphthalen-2-ol?
The InChIKey is ODJMOJLQHPKKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3O/c1-14(2,3)12-8-10(19)7-9-5-4-6-11(13(9)12)15(16,17)18/h4-8,19H,1-3H3.
What are the key properties of 4-tert-butyl-5-(trifluoromethyl)naphthalen-2-ol?
4-tert-butyl-5-(trifluoromethyl)naphthalen-2-ol has a molecular weight of 268.28 g/mol, XLogP of 4.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-(trifluoromethyl)naphthalen-2-ol is sourced from PubChem (CID 169009511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).