2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropane-1,3-diol

C12H17FO2 — CID 105376091

IUPAC2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropane-1,3-diol
SMILESCc1ccc(F)cc1CC(C)(CO)CO
InChIInChI=1S/C12H17FO2/c1-9-3-4-11(13)5-10(9)6-12(2,7-14)8-15/h3-5,14-15H,6-8H2,1-2H3
InChIKeyGJIMUJASDSLSSN-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.67
Rot. Bonds4

About 2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropane-1,3-diol

2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropane-1,3-diol (PubChem CID 105376091) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropane-1,3-diol
PubChem CID105376091
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropane-1,3-diol
SMILESCc1ccc(F)cc1CC(C)(CO)CO
InChIInChI=1S/C12H17FO2/c1-9-3-4-11(13)5-10(9)6-12(2,7-14)8-15/h3-5,14-15H,6-8H2,1-2H3
InChIKeyGJIMUJASDSLSSN-UHFFFAOYSA-N
XLogP1.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-ol
CID 105375980
1-amino-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 105372977
3-(5-fluoro-2-methylphenyl)-2-hydroxy-2-methylpropanal
CID 105372913
1-(5-fluoro-2-methylphenyl)-N,2-dimethylpropan-2-amine
CID 83698852
4-(5-fluoro-2-methylphenyl)-N,3,3-trimethylbutan-1-amine
CID 105376290
2-(2-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]propane-1,3-diol
CID 105376102
N-tert-butyl-2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpentan-1-amine
CID 105374927
3-(5-fluoro-2-methylphenyl)-1,1-dimethoxy-2-methylpropan-2-ol
CID 105372912
2-[(5-fluoro-2-methylphenyl)methyl]-2-methylbutanoic acid
CID 105372510
1-(ethylamino)-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 105375921
3-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropane-1,2-diol
CID 105371162
1-(5-fluoro-2-methylphenyl)-2-methyl-3-(propylamino)propan-2-ol
CID 105375922

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropane-1,3-diol (CID 105376091) is 2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropane-1,3-diol is Cc1ccc(F)cc1CC(C)(CO)CO.
What is the InChIKey of 2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropane-1,3-diol?
The InChIKey is GJIMUJASDSLSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-9-3-4-11(13)5-10(9)6-12(2,7-14)8-15/h3-5,14-15H,6-8H2,1-2H3.
What are the key properties of 2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropane-1,3-diol?
2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropane-1,3-diol has a molecular weight of 212.26 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropane-1,3-diol is sourced from PubChem (CID 105376091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).