2-fluoro-6-methoxy-4-(2-methylbutan-2-yl)phenol

C12H17FO2 — CID 158345455

IUPAC2-fluoro-6-methoxy-4-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1cc(F)c(O)c(OC)c1
InChIInChI=1S/C12H17FO2/c1-5-12(2,3)8-6-9(13)11(14)10(7-8)15-4/h6-7,14H,5H2,1-4H3
InChIKeyRBLNUOUUELECHG-UHFFFAOYSA-N
MW212.26 g/mol
LogP3.23
Rot. Bonds3

About 2-fluoro-6-methoxy-4-(2-methylbutan-2-yl)phenol

2-fluoro-6-methoxy-4-(2-methylbutan-2-yl)phenol (PubChem CID 158345455) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-fluoro-6-methoxy-4-(2-methylbutan-2-yl)phenol.

Molecular Properties

Compound Name2-fluoro-6-methoxy-4-(2-methylbutan-2-yl)phenol
PubChem CID158345455
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name2-fluoro-6-methoxy-4-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1cc(F)c(O)c(OC)c1
InChIInChI=1S/C12H17FO2/c1-5-12(2,3)8-6-9(13)11(14)10(7-8)15-4/h6-7,14H,5H2,1-4H3
InChIKeyRBLNUOUUELECHG-UHFFFAOYSA-N
XLogP3.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-difluoro-2-methoxy-5-(2-methylbutan-2-yl)benzene
CID 146480194
3-methoxy-5-(2-methylbutan-2-yl)pyridin-2-amine
CID 66596227
4-(2-aminobutyl)-2-fluoro-6-methoxyphenol;hydrochloride
CID 170889186
2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
CID 83686232
(3,4-dihydroxyphenyl) 2,2-dimethylbutanoate;2-fluoro-4-(2-methylbutan-2-yl)phenol;2-iodo-6-methoxy-4-(2-methylbutan-2-yl)phenol;methane;4-(2-methylbutan-2-yl)benzene-1,2-diol;5-(2-methylbutan-2-yl)benzene-1,2,3-triol;2-methyl-4-(2-methylbutan-2-yl)phenol
CID 162224827
ethyl 3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]propanoate
CID 59859864
ethyl 2-(3-fluoro-4-hydroxy-5-methoxyphenyl)-2-oxoacetate
CID 117356980
2-bromo-4-fluoro-6-methoxybenzene-1,3-diol
CID 84699811
ethyl (Z)-3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]prop-2-enoate
CID 59859875
3-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-3-methylbutanoic acid
CID 117424550
4-(2-hydroxypropan-2-yl)-2-methoxy-6-methylphenol
CID 117286306
1,3-ditert-butyl-5-(2-methylbutan-2-yl)benzene
CID 123729518

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxy-4-(2-methylbutan-2-yl)phenol?
The IUPAC name of 2-fluoro-6-methoxy-4-(2-methylbutan-2-yl)phenol (CID 158345455) is 2-fluoro-6-methoxy-4-(2-methylbutan-2-yl)phenol.
What is the SMILES notation for 2-fluoro-6-methoxy-4-(2-methylbutan-2-yl)phenol?
The canonical SMILES for 2-fluoro-6-methoxy-4-(2-methylbutan-2-yl)phenol is CCC(C)(C)c1cc(F)c(O)c(OC)c1.
What is the InChIKey of 2-fluoro-6-methoxy-4-(2-methylbutan-2-yl)phenol?
The InChIKey is RBLNUOUUELECHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-5-12(2,3)8-6-9(13)11(14)10(7-8)15-4/h6-7,14H,5H2,1-4H3.
What are the key properties of 2-fluoro-6-methoxy-4-(2-methylbutan-2-yl)phenol?
2-fluoro-6-methoxy-4-(2-methylbutan-2-yl)phenol has a molecular weight of 212.26 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxy-4-(2-methylbutan-2-yl)phenol is sourced from PubChem (CID 158345455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).