5-butan-2-yl-2-tert-butyl-4-fluorophenol

C14H21FO — CID 118092191

IUPAC5-butan-2-yl-2-tert-butyl-4-fluorophenol
SMILESCCC(C)c1cc(O)c(C(C)(C)C)cc1F
InChIInChI=1S/C14H21FO/c1-6-9(2)10-7-13(16)11(8-12(10)15)14(3,4)5/h7-9,16H,6H2,1-5H3
InChIKeyIELDEOWWXDMWSK-UHFFFAOYSA-N
MW224.32 g/mol
LogP4.34
Rot. Bonds2

About 5-butan-2-yl-2-tert-butyl-4-fluorophenol

5-butan-2-yl-2-tert-butyl-4-fluorophenol (PubChem CID 118092191) has the molecular formula C14H21FO and a molecular weight of 224.32 g/mol. Its IUPAC name is 5-butan-2-yl-2-tert-butyl-4-fluorophenol.

Molecular Properties

Compound Name5-butan-2-yl-2-tert-butyl-4-fluorophenol
PubChem CID118092191
Molecular FormulaC14H21FO
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Name5-butan-2-yl-2-tert-butyl-4-fluorophenol
SMILESCCC(C)c1cc(O)c(C(C)(C)C)cc1F
InChIInChI=1S/C14H21FO/c1-6-9(2)10-7-13(16)11(8-12(10)15)14(3,4)5/h7-9,16H,6H2,1-5H3
InChIKeyIELDEOWWXDMWSK-UHFFFAOYSA-N
XLogP4.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-butan-2-yl-5-tert-butyl-4-chlorophenol
CID 118092252
5-butan-2-ylbenzene-1,2,4-triol
CID 22895392
2-tert-butyl-5-ethylbenzene-1,4-diol
CID 13097614
4-tert-butyl-6-(hydroxymethyl)benzene-1,3-diol
CID 23345326
2,3,4,5-tetra(butan-2-yl)phenol
CID 21315496
2-tert-butyl-5-(2-ethyl-3,3-dimethylbutyl)benzene-1,4-diol
CID 141276702
4-[[3,5-bis[(3-butan-2-yl-5-tert-butyl-4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2-butan-2-yl-6-tert-butylphenol
CID 139646427
2-tert-butyl-5-methyl-4-propan-2-ylphenol
CID 14266735
1-butan-2-yl-4-chloro-2-fluorobenzene
CID 54159004
2-[(2S)-butan-2-yl]-6-[[3-[(2S)-butan-2-yl]-5-tert-butyl-2-hydroxyphenyl]methyl]-4-tert-butylphenol
CID 124635312
2-tert-butyl-5-methylsulfanylbenzene-1,4-diol
CID 71342649
1-butan-2-yl-2-fluoro-4-methylbenzene;ethane
CID 165138554

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-tert-butyl-4-fluorophenol?
The IUPAC name of 5-butan-2-yl-2-tert-butyl-4-fluorophenol (CID 118092191) is 5-butan-2-yl-2-tert-butyl-4-fluorophenol.
What is the SMILES notation for 5-butan-2-yl-2-tert-butyl-4-fluorophenol?
The canonical SMILES for 5-butan-2-yl-2-tert-butyl-4-fluorophenol is CCC(C)c1cc(O)c(C(C)(C)C)cc1F.
What is the InChIKey of 5-butan-2-yl-2-tert-butyl-4-fluorophenol?
The InChIKey is IELDEOWWXDMWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO/c1-6-9(2)10-7-13(16)11(8-12(10)15)14(3,4)5/h7-9,16H,6H2,1-5H3.
What are the key properties of 5-butan-2-yl-2-tert-butyl-4-fluorophenol?
5-butan-2-yl-2-tert-butyl-4-fluorophenol has a molecular weight of 224.32 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-tert-butyl-4-fluorophenol is sourced from PubChem (CID 118092191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).