4-(5-fluoro-2-methylphenyl)-4-methyl-1-(4-methylphenyl)sulfanylpentan-2-ol

C20H25FOS — CID 143123876

IUPAC4-(5-fluoro-2-methylphenyl)-4-methyl-1-(4-methylphenyl)sulfanylpentan-2-ol
SMILESCc1ccc(SCC(O)CC(C)(C)c2cc(F)ccc2C)cc1
InChIInChI=1S/C20H25FOS/c1-14-5-9-18(10-6-14)23-13-17(22)12-20(3,4)19-11-16(21)8-7-15(19)2/h5-11,17,22H,12-13H2,1-4H3
InChIKeyHOROWWRDAAGQTK-UHFFFAOYSA-N
MW332.48 g/mol
LogP5.26
Rot. Bonds6

About 4-(5-fluoro-2-methylphenyl)-4-methyl-1-(4-methylphenyl)sulfanylpentan-2-ol

4-(5-fluoro-2-methylphenyl)-4-methyl-1-(4-methylphenyl)sulfanylpentan-2-ol (PubChem CID 143123876) has the molecular formula C20H25FOS and a molecular weight of 332.48 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenyl)-4-methyl-1-(4-methylphenyl)sulfanylpentan-2-ol.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenyl)-4-methyl-1-(4-methylphenyl)sulfanylpentan-2-ol
PubChem CID143123876
Molecular FormulaC20H25FOS
Molecular Weight332.48 g/mol
Exact Mass332.16
IUPAC Name4-(5-fluoro-2-methylphenyl)-4-methyl-1-(4-methylphenyl)sulfanylpentan-2-ol
SMILESCc1ccc(SCC(O)CC(C)(C)c2cc(F)ccc2C)cc1
InChIInChI=1S/C20H25FOS/c1-14-5-9-18(10-6-14)23-13-17(22)12-20(3,4)19-11-16(21)8-7-15(19)2/h5-11,17,22H,12-13H2,1-4H3
InChIKeyHOROWWRDAAGQTK-UHFFFAOYSA-N
XLogP5.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.48
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(5-fluoro-2-methylphenyl)-4-methyl-1-(4-methylphenyl)sulfanylpentan-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-(5-fluoro-2-methylphenyl)-4-methyl-1-(4-methylphenyl)sulfanylpentan-2-ol?
The IUPAC name of 4-(5-fluoro-2-methylphenyl)-4-methyl-1-(4-methylphenyl)sulfanylpentan-2-ol (CID 143123876) is 4-(5-fluoro-2-methylphenyl)-4-methyl-1-(4-methylphenyl)sulfanylpentan-2-ol.
What is the SMILES notation for 4-(5-fluoro-2-methylphenyl)-4-methyl-1-(4-methylphenyl)sulfanylpentan-2-ol?
The canonical SMILES for 4-(5-fluoro-2-methylphenyl)-4-methyl-1-(4-methylphenyl)sulfanylpentan-2-ol is Cc1ccc(SCC(O)CC(C)(C)c2cc(F)ccc2C)cc1.
What is the InChIKey of 4-(5-fluoro-2-methylphenyl)-4-methyl-1-(4-methylphenyl)sulfanylpentan-2-ol?
The InChIKey is HOROWWRDAAGQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FOS/c1-14-5-9-18(10-6-14)23-13-17(22)12-20(3,4)19-11-16(21)8-7-15(19)2/h5-11,17,22H,12-13H2,1-4H3.
What are the key properties of 4-(5-fluoro-2-methylphenyl)-4-methyl-1-(4-methylphenyl)sulfanylpentan-2-ol?
4-(5-fluoro-2-methylphenyl)-4-methyl-1-(4-methylphenyl)sulfanylpentan-2-ol has a molecular weight of 332.48 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylphenyl)-4-methyl-1-(4-methylphenyl)sulfanylpentan-2-ol is sourced from PubChem (CID 143123876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).