2-(2,5-difluoro-3,6-dimethylphenyl)-2-methylpropan-1-ol

C12H16F2O — CID 117305565

IUPAC2-(2,5-difluoro-3,6-dimethylphenyl)-2-methylpropan-1-ol
SMILESCc1cc(F)c(C)c(C(C)(C)CO)c1F
InChIInChI=1S/C12H16F2O/c1-7-5-9(13)8(2)10(11(7)14)12(3,4)6-15/h5,15H,6H2,1-4H3
InChIKeyOGKVLEBIISJSSE-UHFFFAOYSA-N
MW214.25 g/mol
LogP2.85
Rot. Bonds2

About 2-(2,5-difluoro-3,6-dimethylphenyl)-2-methylpropan-1-ol

2-(2,5-difluoro-3,6-dimethylphenyl)-2-methylpropan-1-ol (PubChem CID 117305565) has the molecular formula C12H16F2O and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-(2,5-difluoro-3,6-dimethylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(2,5-difluoro-3,6-dimethylphenyl)-2-methylpropan-1-ol
PubChem CID117305565
Molecular FormulaC12H16F2O
Molecular Weight214.25 g/mol
Exact Mass214.12
IUPAC Name2-(2,5-difluoro-3,6-dimethylphenyl)-2-methylpropan-1-ol
SMILESCc1cc(F)c(C)c(C(C)(C)CO)c1F
InChIInChI=1S/C12H16F2O/c1-7-5-9(13)8(2)10(11(7)14)12(3,4)6-15/h5,15H,6H2,1-4H3
InChIKeyOGKVLEBIISJSSE-UHFFFAOYSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluoro-6-methoxy-2-methylphenyl)-2-methylpropan-1-ol
CID 117303163
2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 117470259
4-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
CID 117337246
6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
CID 117287928
2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol
CID 117308722
6-bromo-3,4-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117451003
3,5-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117290714
(2R)-2-amino-2-(2,6-difluoro-3-methylphenyl)propan-1-ol
CID 130691213
2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropan-1-ol
CID 117369297
2-(6-fluoro-3-methoxy-2-methylphenyl)-2-methylpropan-1-ol
CID 117303162
3-(4-fluoro-3,5-dimethylphenyl)-3-methylbutan-1-ol
CID 79838292
2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-ol
CID 117289363

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-3,6-dimethylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(2,5-difluoro-3,6-dimethylphenyl)-2-methylpropan-1-ol (CID 117305565) is 2-(2,5-difluoro-3,6-dimethylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(2,5-difluoro-3,6-dimethylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(2,5-difluoro-3,6-dimethylphenyl)-2-methylpropan-1-ol is Cc1cc(F)c(C)c(C(C)(C)CO)c1F.
What is the InChIKey of 2-(2,5-difluoro-3,6-dimethylphenyl)-2-methylpropan-1-ol?
The InChIKey is OGKVLEBIISJSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O/c1-7-5-9(13)8(2)10(11(7)14)12(3,4)6-15/h5,15H,6H2,1-4H3.
What are the key properties of 2-(2,5-difluoro-3,6-dimethylphenyl)-2-methylpropan-1-ol?
2-(2,5-difluoro-3,6-dimethylphenyl)-2-methylpropan-1-ol has a molecular weight of 214.25 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoro-3,6-dimethylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117305565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).