3-(4-fluoro-2-methylphenyl)-2-methylpentan-3-ol

C13H19FO — CID 62788142

IUPAC3-(4-fluoro-2-methylphenyl)-2-methylpentan-3-ol
SMILESCCC(O)(c1ccc(F)cc1C)C(C)C
InChIInChI=1S/C13H19FO/c1-5-13(15,9(2)3)12-7-6-11(14)8-10(12)4/h6-9,15H,5H2,1-4H3
InChIKeyXTVUFPMRDNQONY-UHFFFAOYSA-N
MW210.29 g/mol
LogP3.39
Rot. Bonds3

About 3-(4-fluoro-2-methylphenyl)-2-methylpentan-3-ol

3-(4-fluoro-2-methylphenyl)-2-methylpentan-3-ol (PubChem CID 62788142) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylphenyl)-2-methylpentan-3-ol.

Molecular Properties

Compound Name3-(4-fluoro-2-methylphenyl)-2-methylpentan-3-ol
PubChem CID62788142
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name3-(4-fluoro-2-methylphenyl)-2-methylpentan-3-ol
SMILESCCC(O)(c1ccc(F)cc1C)C(C)C
InChIInChI=1S/C13H19FO/c1-5-13(15,9(2)3)12-7-6-11(14)8-10(12)4/h6-9,15H,5H2,1-4H3
InChIKeyXTVUFPMRDNQONY-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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Related Compounds

3-(4-methoxy-2-methylphenyl)-2-methylpentan-3-ol
CID 65313856
2-methyl-3-(2,4,5-trimethylphenyl)pentan-3-ol
CID 64984867
1-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)ethanol
CID 55116263
2-ethyl-1-(5-fluoro-2-methylphenyl)butane-1,2-diol
CID 103449382
2-(4-fluoro-2-methylphenyl)-2-methylbutanenitrile
CID 130133632
1-(tert-butylamino)-2-(4-fluoro-2-methylphenyl)propan-2-ol
CID 66036805
1-(5-fluoro-2-methylphenyl)-2-methylbutane-1,2-diol
CID 103448709
3-(3,4-difluorophenyl)-2-methylpentan-3-ol
CID 62802686
2-(4-fluoro-2-methylphenyl)propan-2-amine
CID 62790601
3-(2,4-dimethoxyphenyl)-2-methylpentan-3-ol
CID 62801618
1-(4-fluoro-2-methylanilino)-2,3-dimethylbutan-2-ol
CID 114492688
2-(4-fluoro-2-methylphenyl)-2-methylhexan-1-ol
CID 67800857

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methylphenyl)-2-methylpentan-3-ol?
The IUPAC name of 3-(4-fluoro-2-methylphenyl)-2-methylpentan-3-ol (CID 62788142) is 3-(4-fluoro-2-methylphenyl)-2-methylpentan-3-ol.
What is the SMILES notation for 3-(4-fluoro-2-methylphenyl)-2-methylpentan-3-ol?
The canonical SMILES for 3-(4-fluoro-2-methylphenyl)-2-methylpentan-3-ol is CCC(O)(c1ccc(F)cc1C)C(C)C.
What is the InChIKey of 3-(4-fluoro-2-methylphenyl)-2-methylpentan-3-ol?
The InChIKey is XTVUFPMRDNQONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c1-5-13(15,9(2)3)12-7-6-11(14)8-10(12)4/h6-9,15H,5H2,1-4H3.
What are the key properties of 3-(4-fluoro-2-methylphenyl)-2-methylpentan-3-ol?
3-(4-fluoro-2-methylphenyl)-2-methylpentan-3-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 3-(4-fluoro-2-methylphenyl)-2-methylpentan-3-ol is sourced from PubChem (CID 62788142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).