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

C13H19FO — CID 107129477

IUPAC4-(3-fluoro-4-methylphenyl)-4-methylpentan-2-ol
SMILESCc1ccc(C(C)(C)CC(C)O)cc1F
InChIInChI=1S/C13H19FO/c1-9-5-6-11(7-12(9)14)13(3,4)8-10(2)15/h5-7,10,15H,8H2,1-4H3
InChIKeyXJJAWSYGSKHTFE-UHFFFAOYSA-N
MW210.29 g/mol
LogP3.18
Rot. Bonds3

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

4-(3-fluoro-4-methylphenyl)-4-methylpentan-2-ol (PubChem CID 107129477) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 4-(3-fluoro-4-methylphenyl)-4-methylpentan-2-ol.

Molecular Properties

Compound Name4-(3-fluoro-4-methylphenyl)-4-methylpentan-2-ol
PubChem CID107129477
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name4-(3-fluoro-4-methylphenyl)-4-methylpentan-2-ol
SMILESCc1ccc(C(C)(C)CC(C)O)cc1F
InChIInChI=1S/C13H19FO/c1-9-5-6-11(7-12(9)14)13(3,4)8-10(2)15/h5-7,10,15H,8H2,1-4H3
InChIKeyXJJAWSYGSKHTFE-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(3-fluoro-4-methylphenyl)-4-methylpentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methylphenyl)-4-methylpentan-2-ol?
The IUPAC name of 4-(3-fluoro-4-methylphenyl)-4-methylpentan-2-ol (CID 107129477) is 4-(3-fluoro-4-methylphenyl)-4-methylpentan-2-ol.
What is the SMILES notation for 4-(3-fluoro-4-methylphenyl)-4-methylpentan-2-ol?
The canonical SMILES for 4-(3-fluoro-4-methylphenyl)-4-methylpentan-2-ol is Cc1ccc(C(C)(C)CC(C)O)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methylphenyl)-4-methylpentan-2-ol?
The InChIKey is XJJAWSYGSKHTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c1-9-5-6-11(7-12(9)14)13(3,4)8-10(2)15/h5-7,10,15H,8H2,1-4H3.
What are the key properties of 4-(3-fluoro-4-methylphenyl)-4-methylpentan-2-ol?
4-(3-fluoro-4-methylphenyl)-4-methylpentan-2-ol has a molecular weight of 210.29 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methylphenyl)-4-methylpentan-2-ol is sourced from PubChem (CID 107129477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).