6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol

C11H15FO2 — CID 117287928

IUPAC6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
SMILESCc1ccc(F)c(O)c1C(C)(C)CO
InChIInChI=1S/C11H15FO2/c1-7-4-5-8(12)10(14)9(7)11(2,3)6-13/h4-5,13-14H,6H2,1-3H3
InChIKeyGGNICXVHWIPJDB-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.11
Rot. Bonds2

About 6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol

6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol (PubChem CID 117287928) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol.

Molecular Properties

Compound Name6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
PubChem CID117287928
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
SMILESCc1ccc(F)c(O)c1C(C)(C)CO
InChIInChI=1S/C11H15FO2/c1-7-4-5-8(12)10(14)9(7)11(2,3)6-13/h4-5,13-14H,6H2,1-3H3
InChIKeyGGNICXVHWIPJDB-UHFFFAOYSA-N
XLogP2.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylphenol
CID 117284763
3-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117311600
6-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
CID 117400993
3-fluoro-6-(1-hydroxy-2-methylpropan-2-yl)benzene-1,2-diol
CID 117289209
2-[(2R)-2-amino-1-hydroxypropan-2-yl]-3-fluoro-6-methylphenol
CID 130700380
4-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
CID 117337246
(2R)-2-amino-2-(2,6-difluoro-3-methylphenyl)propan-1-ol
CID 130691213
2-(3-fluoro-6-methoxy-2-methylphenyl)-2-methylpropan-1-ol
CID 117303163
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171253555
2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-ol
CID 117289363
2-(6-fluoro-3-methoxy-2-methylphenyl)-2-methylpropan-1-ol
CID 117303162
2-(2,5-difluoro-3,6-dimethylphenyl)-2-methylpropan-1-ol
CID 117305565

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol?
The IUPAC name of 6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol (CID 117287928) is 6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol.
What is the SMILES notation for 6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol?
The canonical SMILES for 6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol is Cc1ccc(F)c(O)c1C(C)(C)CO.
What is the InChIKey of 6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol?
The InChIKey is GGNICXVHWIPJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c1-7-4-5-8(12)10(14)9(7)11(2,3)6-13/h4-5,13-14H,6H2,1-3H3.
What are the key properties of 6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol?
6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol has a molecular weight of 198.24 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol is sourced from PubChem (CID 117287928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).