2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-ol

C11H14F2O — CID 117289363

IUPAC2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-ol
SMILESCc1ccc(C(C)(C)CO)c(F)c1F
InChIInChI=1S/C11H14F2O/c1-7-4-5-8(10(13)9(7)12)11(2,3)6-14/h4-5,14H,6H2,1-3H3
InChIKeyXIXUYNBHRVHMRZ-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.54
Rot. Bonds2

About 2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-ol

2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-ol (PubChem CID 117289363) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-ol
PubChem CID117289363
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-ol
SMILESCc1ccc(C(C)(C)CO)c(F)c1F
InChIInChI=1S/C11H14F2O/c1-7-4-5-8(10(13)9(7)12)11(2,3)6-14/h4-5,14H,6H2,1-3H3
InChIKeyXIXUYNBHRVHMRZ-UHFFFAOYSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-amine
CID 107514700
1-(4-chloro-2-methylpentan-2-yl)-2,3-difluoro-4-methylbenzene
CID 107514442
2-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117344265
3-fluoro-6-(1-hydroxy-2-methylpropan-2-yl)benzene-1,2-diol
CID 117289209
2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 117337255
2-(3-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-ol
CID 117297885
2-(2,3-difluoro-4-methylphenyl)-4-(methylamino)butan-2-ol
CID 107514658
ethane;5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 144982563
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
1-(2,3-difluoro-4-methylphenyl)-1-(2-fluorophenyl)ethanol
CID 107512082
3-(2-bromo-3-fluoro-4-methylphenyl)-3-methylbutanoic acid
CID 117466912

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-ol (CID 117289363) is 2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-ol is Cc1ccc(C(C)(C)CO)c(F)c1F.
What is the InChIKey of 2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-ol?
The InChIKey is XIXUYNBHRVHMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-7-4-5-8(10(13)9(7)12)11(2,3)6-14/h4-5,14H,6H2,1-3H3.
What are the key properties of 2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-ol?
2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-ol has a molecular weight of 200.23 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117289363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).