3-fluoro-4-(2-methylbutan-2-yloxy)phenol

C11H15FO2 — CID 169297946

IUPAC3-fluoro-4-(2-methylbutan-2-yloxy)phenol
SMILESCCC(C)(C)Oc1ccc(O)cc1F
InChIInChI=1S/C11H15FO2/c1-4-11(2,3)14-10-6-5-8(13)7-9(10)12/h5-7,13H,4H2,1-3H3
InChIKeyXFQVTMOWXLLOAC-UHFFFAOYSA-N
MW198.24 g/mol
LogP3.10
Rot. Bonds3

About 3-fluoro-4-(2-methylbutan-2-yloxy)phenol

3-fluoro-4-(2-methylbutan-2-yloxy)phenol (PubChem CID 169297946) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 3-fluoro-4-(2-methylbutan-2-yloxy)phenol.

Molecular Properties

Compound Name3-fluoro-4-(2-methylbutan-2-yloxy)phenol
PubChem CID169297946
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name3-fluoro-4-(2-methylbutan-2-yloxy)phenol
SMILESCCC(C)(C)Oc1ccc(O)cc1F
InChIInChI=1S/C11H15FO2/c1-4-11(2,3)14-10-6-5-8(13)7-9(10)12/h5-7,13H,4H2,1-3H3
InChIKeyXFQVTMOWXLLOAC-UHFFFAOYSA-N
XLogP3.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-1-(2-methylbutan-2-yloxy)benzene;ethane
CID 144811143
[3-fluoro-4-(2-methylbutan-2-yloxy)phenyl] 2,2-dimethylbutanoate
CID 164747807
11-[3-fluoro-4-(2-methylbutan-2-yloxy)phenoxy]undecan-1-ol
CID 169297977
3-fluoro-4-methoxyphenol
CID 14661613
4-fluoro-2-(2-methylbutan-2-yloxy)aniline
CID 62377670
5-fluoro-4-methyl-2-(2-methylbutan-2-yloxy)aniline
CID 103590975
4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenol
CID 90022757
1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,2-dimethylbutan-1-one
CID 135133798
2-fluoro-6-(2-methylbutan-2-yloxy)benzonitrile
CID 79513130
3-amino-4-(2-methylbutan-2-yloxy)benzoic acid
CID 60987854
N-ethyl-1-[5-fluoro-2-(2-methylbutan-2-yloxy)phenyl]ethanamine
CID 43285833
4-butan-2-yl-2-fluoro-1-(2-methylbutan-2-yloxy)benzene;(1-methylcyclopentyl) 2,2-dimethylbutanoate
CID 162129193

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-methylbutan-2-yloxy)phenol?
The IUPAC name of 3-fluoro-4-(2-methylbutan-2-yloxy)phenol (CID 169297946) is 3-fluoro-4-(2-methylbutan-2-yloxy)phenol.
What is the SMILES notation for 3-fluoro-4-(2-methylbutan-2-yloxy)phenol?
The canonical SMILES for 3-fluoro-4-(2-methylbutan-2-yloxy)phenol is CCC(C)(C)Oc1ccc(O)cc1F.
What is the InChIKey of 3-fluoro-4-(2-methylbutan-2-yloxy)phenol?
The InChIKey is XFQVTMOWXLLOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c1-4-11(2,3)14-10-6-5-8(13)7-9(10)12/h5-7,13H,4H2,1-3H3.
What are the key properties of 3-fluoro-4-(2-methylbutan-2-yloxy)phenol?
3-fluoro-4-(2-methylbutan-2-yloxy)phenol has a molecular weight of 198.24 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-methylbutan-2-yloxy)phenol is sourced from PubChem (CID 169297946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).