2-tert-butyl-5-fluoro-4-prop-1-en-2-ylphenol

C13H17FO — CID 155238236

IUPAC2-tert-butyl-5-fluoro-4-prop-1-en-2-ylphenol
SMILESC=C(C)c1cc(C(C)(C)C)c(O)cc1F
InChIInChI=1S/C13H17FO/c1-8(2)9-6-10(13(3,4)5)12(15)7-11(9)14/h6-7,15H,1H2,2-5H3
InChIKeyYUEBQSIXVWVVEP-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.86
Rot. Bonds1

About 2-tert-butyl-5-fluoro-4-prop-1-en-2-ylphenol

2-tert-butyl-5-fluoro-4-prop-1-en-2-ylphenol (PubChem CID 155238236) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-tert-butyl-5-fluoro-4-prop-1-en-2-ylphenol.

Molecular Properties

Compound Name2-tert-butyl-5-fluoro-4-prop-1-en-2-ylphenol
PubChem CID155238236
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name2-tert-butyl-5-fluoro-4-prop-1-en-2-ylphenol
SMILESC=C(C)c1cc(C(C)(C)C)c(O)cc1F
InChIInChI=1S/C13H17FO/c1-8(2)9-6-10(13(3,4)5)12(15)7-11(9)14/h6-7,15H,1H2,2-5H3
InChIKeyYUEBQSIXVWVVEP-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-fluoro-4-prop-1-en-2-ylphenol?
The IUPAC name of 2-tert-butyl-5-fluoro-4-prop-1-en-2-ylphenol (CID 155238236) is 2-tert-butyl-5-fluoro-4-prop-1-en-2-ylphenol.
What is the SMILES notation for 2-tert-butyl-5-fluoro-4-prop-1-en-2-ylphenol?
The canonical SMILES for 2-tert-butyl-5-fluoro-4-prop-1-en-2-ylphenol is C=C(C)c1cc(C(C)(C)C)c(O)cc1F.
What is the InChIKey of 2-tert-butyl-5-fluoro-4-prop-1-en-2-ylphenol?
The InChIKey is YUEBQSIXVWVVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c1-8(2)9-6-10(13(3,4)5)12(15)7-11(9)14/h6-7,15H,1H2,2-5H3.
What are the key properties of 2-tert-butyl-5-fluoro-4-prop-1-en-2-ylphenol?
2-tert-butyl-5-fluoro-4-prop-1-en-2-ylphenol has a molecular weight of 208.28 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-fluoro-4-prop-1-en-2-ylphenol is sourced from PubChem (CID 155238236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).