1-(4-tert-butylphenyl)sulfanyl-2-methylpropan-2-ol

C14H22OS — CID 60880312

IUPAC1-(4-tert-butylphenyl)sulfanyl-2-methylpropan-2-ol
SMILESCC(C)(O)CSc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H22OS/c1-13(2,3)11-6-8-12(9-7-11)16-10-14(4,5)15/h6-9,15H,10H2,1-5H3
InChIKeyRHWOWKFJTOVDBB-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.85
Rot. Bonds3

About 1-(4-tert-butylphenyl)sulfanyl-2-methylpropan-2-ol

1-(4-tert-butylphenyl)sulfanyl-2-methylpropan-2-ol (PubChem CID 60880312) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfanyl-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfanyl-2-methylpropan-2-ol
PubChem CID60880312
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name1-(4-tert-butylphenyl)sulfanyl-2-methylpropan-2-ol
SMILESCC(C)(O)CSc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H22OS/c1-13(2,3)11-6-8-12(9-7-11)16-10-14(4,5)15/h6-9,15H,10H2,1-5H3
InChIKeyRHWOWKFJTOVDBB-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-tert-butylphenyl)sulfanyl-2-methylpropan-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 1-(4-tert-butylphenyl)sulfanyl-2-methylpropan-2-ol?
The IUPAC name of 1-(4-tert-butylphenyl)sulfanyl-2-methylpropan-2-ol (CID 60880312) is 1-(4-tert-butylphenyl)sulfanyl-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfanyl-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfanyl-2-methylpropan-2-ol is CC(C)(O)CSc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfanyl-2-methylpropan-2-ol?
The InChIKey is RHWOWKFJTOVDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-13(2,3)11-6-8-12(9-7-11)16-10-14(4,5)15/h6-9,15H,10H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)sulfanyl-2-methylpropan-2-ol?
1-(4-tert-butylphenyl)sulfanyl-2-methylpropan-2-ol has a molecular weight of 238.40 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfanyl-2-methylpropan-2-ol is sourced from PubChem (CID 60880312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).