3-(4-fluoro-2,6-dimethylphenyl)-3-methylbutan-1-ol

C13H19FO — CID 106880211

IUPAC3-(4-fluoro-2,6-dimethylphenyl)-3-methylbutan-1-ol
SMILESCc1cc(F)cc(C)c1C(C)(C)CCO
InChIInChI=1S/C13H19FO/c1-9-7-11(14)8-10(2)12(9)13(3,4)5-6-15/h7-8,15H,5-6H2,1-4H3
InChIKeyOTCXOTMTCSFFAV-UHFFFAOYSA-N
MW210.29 g/mol
LogP3.10
Rot. Bonds3

About 3-(4-fluoro-2,6-dimethylphenyl)-3-methylbutan-1-ol

3-(4-fluoro-2,6-dimethylphenyl)-3-methylbutan-1-ol (PubChem CID 106880211) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 3-(4-fluoro-2,6-dimethylphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-(4-fluoro-2,6-dimethylphenyl)-3-methylbutan-1-ol
PubChem CID106880211
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name3-(4-fluoro-2,6-dimethylphenyl)-3-methylbutan-1-ol
SMILESCc1cc(F)cc(C)c1C(C)(C)CCO
InChIInChI=1S/C13H19FO/c1-9-7-11(14)8-10(2)12(9)13(3,4)5-6-15/h7-8,15H,5-6H2,1-4H3
InChIKeyOTCXOTMTCSFFAV-UHFFFAOYSA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2,6-dimethylphenyl)-3-methylbutan-1-ol?
The IUPAC name of 3-(4-fluoro-2,6-dimethylphenyl)-3-methylbutan-1-ol (CID 106880211) is 3-(4-fluoro-2,6-dimethylphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 3-(4-fluoro-2,6-dimethylphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 3-(4-fluoro-2,6-dimethylphenyl)-3-methylbutan-1-ol is Cc1cc(F)cc(C)c1C(C)(C)CCO.
What is the InChIKey of 3-(4-fluoro-2,6-dimethylphenyl)-3-methylbutan-1-ol?
The InChIKey is OTCXOTMTCSFFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c1-9-7-11(14)8-10(2)12(9)13(3,4)5-6-15/h7-8,15H,5-6H2,1-4H3.
What are the key properties of 3-(4-fluoro-2,6-dimethylphenyl)-3-methylbutan-1-ol?
3-(4-fluoro-2,6-dimethylphenyl)-3-methylbutan-1-ol has a molecular weight of 210.29 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2,6-dimethylphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 106880211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).