3,5-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol

C10H12F2O2 — CID 117290714

IUPAC3,5-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
SMILESCC(C)(CO)c1c(O)cc(F)cc1F
InChIInChI=1S/C10H12F2O2/c1-10(2,5-13)9-7(12)3-6(11)4-8(9)14/h3-4,13-14H,5H2,1-2H3
InChIKeyOYAOVJOPQMKTOP-UHFFFAOYSA-N
MW202.20 g/mol
LogP1.94
Rot. Bonds2

About 3,5-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol

3,5-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol (PubChem CID 117290714) has the molecular formula C10H12F2O2 and a molecular weight of 202.20 g/mol. Its IUPAC name is 3,5-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol.

Molecular Properties

Compound Name3,5-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
PubChem CID117290714
Molecular FormulaC10H12F2O2
Molecular Weight202.20 g/mol
Exact Mass202.08
IUPAC Name3,5-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
SMILESCC(C)(CO)c1c(O)cc(F)cc1F
InChIInChI=1S/C10H12F2O2/c1-10(2,5-13)9-7(12)3-6(11)4-8(9)14/h3-4,13-14H,5H2,1-2H3
InChIKeyOYAOVJOPQMKTOP-UHFFFAOYSA-N
XLogP1.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-3,5-difluorophenol
CID 118328413
(2-tert-butyl-3,5-difluorophenyl)methanol
CID 166835720
ethane;5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 144982563
2-methyl-2-(2,4,6-trifluorophenyl)propan-1-amine
CID 83412673
2-(4,6-difluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117367449
6-bromo-3,4-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117451003
4-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
CID 117337246
2-(2,5-difluoro-3,6-dimethylphenyl)-2-methylpropan-1-ol
CID 117305565
6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
CID 117287928
3-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117311600
4-chloro-5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117311601
3,5-difluoro-2-methylphenol
CID 20580699

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol?
The IUPAC name of 3,5-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol (CID 117290714) is 3,5-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol.
What is the SMILES notation for 3,5-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol?
The canonical SMILES for 3,5-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol is CC(C)(CO)c1c(O)cc(F)cc1F.
What is the InChIKey of 3,5-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol?
The InChIKey is OYAOVJOPQMKTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O2/c1-10(2,5-13)9-7(12)3-6(11)4-8(9)14/h3-4,13-14H,5H2,1-2H3.
What are the key properties of 3,5-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol?
3,5-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol has a molecular weight of 202.20 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol is sourced from PubChem (CID 117290714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).