1-[2-fluoro-6-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol

C12H17FO3 — CID 114494492

IUPAC1-[2-fluoro-6-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
SMILESCCC(C)(O)COc1c(F)cccc1CO
InChIInChI=1S/C12H17FO3/c1-3-12(2,15)8-16-11-9(7-14)5-4-6-10(11)13/h4-6,14-15H,3,7-8H2,1-2H3
InChIKeyVNVPLWLMZDCQOD-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.86
Rot. Bonds5

About 1-[2-fluoro-6-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol

1-[2-fluoro-6-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol (PubChem CID 114494492) has the molecular formula C12H17FO3 and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-[2-fluoro-6-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[2-fluoro-6-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
PubChem CID114494492
Molecular FormulaC12H17FO3
Molecular Weight228.26 g/mol
Exact Mass228.12
IUPAC Name1-[2-fluoro-6-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
SMILESCCC(C)(O)COc1c(F)cccc1CO
InChIInChI=1S/C12H17FO3/c1-3-12(2,15)8-16-11-9(7-14)5-4-6-10(11)13/h4-6,14-15H,3,7-8H2,1-2H3
InChIKeyVNVPLWLMZDCQOD-UHFFFAOYSA-N
XLogP1.86
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol
CID 114496129
1-[2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 114494372
1-(2,3-difluorophenoxy)-2-methylbutan-2-ol
CID 114496070
(3-fluoro-2-heptoxyphenyl)methanol
CID 112612964
3-[2-fluoro-6-(hydroxymethyl)phenoxy]propan-1-ol
CID 112612921
[3-fluoro-2-(2-methylprop-2-enoxy)phenyl]methanol
CID 112613056
[2-[(2-chlorophenyl)methoxy]-3-fluorophenyl]methanol
CID 112613091
2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylacetamide
CID 112613129
3-[[2-chloro-6-(hydroxymethyl)phenoxy]methyl]pentan-3-ol
CID 114494489
[3-fluoro-2-(4-methylpentoxy)phenyl]methanol
CID 112613210
4-[[2-fluoro-6-(hydroxymethyl)phenoxy]methyl]phenol
CID 112613126
3-[[2-(hydroxymethyl)-6-methoxyphenoxy]methyl]pentan-3-ol
CID 114494393

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol?
The IUPAC name of 1-[2-fluoro-6-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol (CID 114494492) is 1-[2-fluoro-6-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[2-fluoro-6-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 1-[2-fluoro-6-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol is CCC(C)(O)COc1c(F)cccc1CO.
What is the InChIKey of 1-[2-fluoro-6-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol?
The InChIKey is VNVPLWLMZDCQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO3/c1-3-12(2,15)8-16-11-9(7-14)5-4-6-10(11)13/h4-6,14-15H,3,7-8H2,1-2H3.
What are the key properties of 1-[2-fluoro-6-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol?
1-[2-fluoro-6-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol has a molecular weight of 228.26 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 114494492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).