2-(3-fluoro-5-methylphenyl)-3,3-dimethylbutan-2-ol

C13H19FO — CID 115401195

IUPAC2-(3-fluoro-5-methylphenyl)-3,3-dimethylbutan-2-ol
SMILESCc1cc(F)cc(C(C)(O)C(C)(C)C)c1
InChIInChI=1S/C13H19FO/c1-9-6-10(8-11(14)7-9)13(5,15)12(2,3)4/h6-8,15H,1-5H3
InChIKeyANWZNDHGENPIFU-UHFFFAOYSA-N
MW210.29 g/mol
LogP3.39
Rot. Bonds1

About 2-(3-fluoro-5-methylphenyl)-3,3-dimethylbutan-2-ol

2-(3-fluoro-5-methylphenyl)-3,3-dimethylbutan-2-ol (PubChem CID 115401195) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 2-(3-fluoro-5-methylphenyl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name2-(3-fluoro-5-methylphenyl)-3,3-dimethylbutan-2-ol
PubChem CID115401195
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name2-(3-fluoro-5-methylphenyl)-3,3-dimethylbutan-2-ol
SMILESCc1cc(F)cc(C(C)(O)C(C)(C)C)c1
InChIInChI=1S/C13H19FO/c1-9-6-10(8-11(14)7-9)13(5,15)12(2,3)4/h6-8,15H,1-5H3
InChIKeyANWZNDHGENPIFU-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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

1-(3-fluoro-5-methylphenyl)-1-(4-methylphenyl)ethanol
CID 79691276
1-amino-2-(3-fluoro-5-methylphenyl)propan-2-ol
CID 79704426
1-bromo-2-(3,5-dimethylphenyl)-1,1-difluoropropan-2-ol
CID 107140313
1-(3,4-dimethylphenyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 79692579
2-(3-fluoro-5-methylphenyl)-3-methylpentan-2-ol
CID 79692026
1-(ethylamino)-2-(3-fluoro-5-methylphenyl)propan-2-ol
CID 79704574
2-(3-fluoro-5-methylphenyl)-1-(4-fluorophenyl)propan-2-ol
CID 114832963
1-(3-fluoro-5-methylphenyl)-1-(2-fluorophenyl)ethanol
CID 79692201
(2R)-2-amino-2-(3-fluoro-5-methylphenyl)propanoic acid
CID 130657350
(3S)-3-amino-3-(3-fluoro-5-methylphenyl)butan-1-ol
CID 130706389
4-(3-fluoro-5-methylphenyl)-4-methylpentan-2-one
CID 79704554
1-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanol
CID 62786600

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methylphenyl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 2-(3-fluoro-5-methylphenyl)-3,3-dimethylbutan-2-ol (CID 115401195) is 2-(3-fluoro-5-methylphenyl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 2-(3-fluoro-5-methylphenyl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 2-(3-fluoro-5-methylphenyl)-3,3-dimethylbutan-2-ol is Cc1cc(F)cc(C(C)(O)C(C)(C)C)c1.
What is the InChIKey of 2-(3-fluoro-5-methylphenyl)-3,3-dimethylbutan-2-ol?
The InChIKey is ANWZNDHGENPIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c1-9-6-10(8-11(14)7-9)13(5,15)12(2,3)4/h6-8,15H,1-5H3.
What are the key properties of 2-(3-fluoro-5-methylphenyl)-3,3-dimethylbutan-2-ol?
2-(3-fluoro-5-methylphenyl)-3,3-dimethylbutan-2-ol has a molecular weight of 210.29 g/mol, XLogP of 3.39, 1 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)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 115401195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).