2-butan-2-yl-4-fluoro-6-propan-2-ylphenol

C13H19FO — CID 25134493

IUPAC2-butan-2-yl-4-fluoro-6-propan-2-ylphenol
SMILESCCC(C)c1cc(F)cc(C(C)C)c1O
InChIInChI=1S/C13H19FO/c1-5-9(4)12-7-10(14)6-11(8(2)3)13(12)15/h6-9,15H,5H2,1-4H3
InChIKeyFMJUMOZAVGYYIR-UHFFFAOYSA-N
MW210.29 g/mol
LogP4.17
Rot. Bonds3

About 2-butan-2-yl-4-fluoro-6-propan-2-ylphenol

2-butan-2-yl-4-fluoro-6-propan-2-ylphenol (PubChem CID 25134493) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 2-butan-2-yl-4-fluoro-6-propan-2-ylphenol.

Molecular Properties

Compound Name2-butan-2-yl-4-fluoro-6-propan-2-ylphenol
PubChem CID25134493
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name2-butan-2-yl-4-fluoro-6-propan-2-ylphenol
SMILESCCC(C)c1cc(F)cc(C(C)C)c1O
InChIInChI=1S/C13H19FO/c1-5-9(4)12-7-10(14)6-11(8(2)3)13(12)15/h6-9,15H,5H2,1-4H3
InChIKeyFMJUMOZAVGYYIR-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-butan-2-yl-6-propan-2-ylbenzene-1,2-diol
CID 146417092
4-ethyl-2,6-di(propan-2-yl)phenol
CID 3058292
2,6-di(butan-2-yl)-4-butylphenol
CID 66619822
2-butan-2-yl-6-[1-(3-butan-2-yl-5-chloro-2-hydroxyphenyl)propyl]-4-chlorophenol
CID 57082444
4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenol
CID 58077888
2-hexan-2-yl-4,6-di(propan-2-yl)phenol
CID 154085005
5-butan-2-ylbenzene-1,2,4-triol
CID 22895392
2-butan-2-yl-6-[(3-butan-2-yl-5-ethyl-2-hydroxyphenyl)disulfanyl]-4-ethylphenol
CID 21499302
azane;2,4,6-tri(propan-2-yl)phenol
CID 174814858
2,3,6-tri(butan-2-yl)phenol
CID 101292764
carbanide;4-[[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl-methylamino]methyl]-2,6-di(propan-2-yl)phenol;methanol;bis(1,2,3,4,5-pentamethylcyclopentane);titanium
CID 162294579
2-[(2S)-butan-2-yl]-6-[[3-[(2S)-butan-2-yl]-5-tert-butyl-2-hydroxyphenyl]methyl]-4-tert-butylphenol
CID 124635312

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-fluoro-6-propan-2-ylphenol?
The IUPAC name of 2-butan-2-yl-4-fluoro-6-propan-2-ylphenol (CID 25134493) is 2-butan-2-yl-4-fluoro-6-propan-2-ylphenol.
What is the SMILES notation for 2-butan-2-yl-4-fluoro-6-propan-2-ylphenol?
The canonical SMILES for 2-butan-2-yl-4-fluoro-6-propan-2-ylphenol is CCC(C)c1cc(F)cc(C(C)C)c1O.
What is the InChIKey of 2-butan-2-yl-4-fluoro-6-propan-2-ylphenol?
The InChIKey is FMJUMOZAVGYYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c1-5-9(4)12-7-10(14)6-11(8(2)3)13(12)15/h6-9,15H,5H2,1-4H3.
What are the key properties of 2-butan-2-yl-4-fluoro-6-propan-2-ylphenol?
2-butan-2-yl-4-fluoro-6-propan-2-ylphenol has a molecular weight of 210.29 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-fluoro-6-propan-2-ylphenol is sourced from PubChem (CID 25134493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).