2-(3-fluoro-5-methylphenyl)-3-methylpentan-2-ol

C13H19FO — CID 79692026

IUPAC2-(3-fluoro-5-methylphenyl)-3-methylpentan-2-ol
SMILESCCC(C)C(C)(O)c1cc(C)cc(F)c1
InChIInChI=1S/C13H19FO/c1-5-10(3)13(4,15)11-6-9(2)7-12(14)8-11/h6-8,10,15H,5H2,1-4H3
InChIKeyGSMAXKOVLYYFBP-UHFFFAOYSA-N
MW210.29 g/mol
LogP3.39
Rot. Bonds3

About 2-(3-fluoro-5-methylphenyl)-3-methylpentan-2-ol

2-(3-fluoro-5-methylphenyl)-3-methylpentan-2-ol (PubChem CID 79692026) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 2-(3-fluoro-5-methylphenyl)-3-methylpentan-2-ol.

Molecular Properties

Compound Name2-(3-fluoro-5-methylphenyl)-3-methylpentan-2-ol
PubChem CID79692026
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name2-(3-fluoro-5-methylphenyl)-3-methylpentan-2-ol
SMILESCCC(C)C(C)(O)c1cc(C)cc(F)c1
InChIInChI=1S/C13H19FO/c1-5-10(3)13(4,15)11-6-9(2)7-12(14)8-11/h6-8,10,15H,5H2,1-4H3
InChIKeyGSMAXKOVLYYFBP-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methylphenyl)-3-methylpentan-2-ol?
The IUPAC name of 2-(3-fluoro-5-methylphenyl)-3-methylpentan-2-ol (CID 79692026) is 2-(3-fluoro-5-methylphenyl)-3-methylpentan-2-ol.
What is the SMILES notation for 2-(3-fluoro-5-methylphenyl)-3-methylpentan-2-ol?
The canonical SMILES for 2-(3-fluoro-5-methylphenyl)-3-methylpentan-2-ol is CCC(C)C(C)(O)c1cc(C)cc(F)c1.
What is the InChIKey of 2-(3-fluoro-5-methylphenyl)-3-methylpentan-2-ol?
The InChIKey is GSMAXKOVLYYFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c1-5-10(3)13(4,15)11-6-9(2)7-12(14)8-11/h6-8,10,15H,5H2,1-4H3.
What are the key properties of 2-(3-fluoro-5-methylphenyl)-3-methylpentan-2-ol?
2-(3-fluoro-5-methylphenyl)-3-methylpentan-2-ol has a molecular weight of 210.29 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methylphenyl)-3-methylpentan-2-ol is sourced from PubChem (CID 79692026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).