4-[(4-tert-butylphenyl)methyl]thiolan-3-ol

C15H22OS — CID 83190158

IUPAC4-[(4-tert-butylphenyl)methyl]thiolan-3-ol
SMILESCC(C)(C)c1ccc(CC2CSCC2O)cc1
InChIInChI=1S/C15H22OS/c1-15(2,3)13-6-4-11(5-7-13)8-12-9-17-10-14(12)16/h4-7,12,14,16H,8-10H2,1-3H3
InChIKeyFWEAURREYLVHSE-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.25
Rot. Bonds2

About 4-[(4-tert-butylphenyl)methyl]thiolan-3-ol

4-[(4-tert-butylphenyl)methyl]thiolan-3-ol (PubChem CID 83190158) has the molecular formula C15H22OS and a molecular weight of 250.41 g/mol. Its IUPAC name is 4-[(4-tert-butylphenyl)methyl]thiolan-3-ol.

Molecular Properties

Compound Name4-[(4-tert-butylphenyl)methyl]thiolan-3-ol
PubChem CID83190158
Molecular FormulaC15H22OS
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name4-[(4-tert-butylphenyl)methyl]thiolan-3-ol
SMILESCC(C)(C)c1ccc(CC2CSCC2O)cc1
InChIInChI=1S/C15H22OS/c1-15(2,3)13-6-4-11(5-7-13)8-12-9-17-10-14(12)16/h4-7,12,14,16H,8-10H2,1-3H3
InChIKeyFWEAURREYLVHSE-UHFFFAOYSA-N
XLogP3.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(4-tert-butylphenyl)methyl]thiolan-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

4-(furan-3-ylmethyl)thiolan-3-ol
CID 83190401
3-[(4-tert-butylphenyl)methyl]oxan-4-ol
CID 106471360
2-[(4-tert-butylphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61381555
2-[(4-tert-butylphenyl)methyl]-N-methylcycloheptan-1-amine
CID 63403694
1-tert-butyl-4-[(2-chlorocyclohexyl)methyl]benzene
CID 63461490
4-(2,2-difluoro-2-phenylethyl)thiolan-3-ol
CID 116790329
1-tert-butyl-4-[(2-chloro-5-methylcyclohexyl)methyl]benzene
CID 63460957
4-(quinolin-3-ylmethyl)thiolan-3-ol
CID 114203558
3-[(4-tert-butylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-ol
CID 19784669
4-[(1-propan-2-ylpyrazol-3-yl)methyl]thiolan-3-ol
CID 83190389
4-[(4-bromothiophen-2-yl)methyl]thiolan-3-ol
CID 83190729
3-[(4-tert-butylphenyl)methyl]cyclopentan-1-amine
CID 64506233

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenyl)methyl]thiolan-3-ol?
The IUPAC name of 4-[(4-tert-butylphenyl)methyl]thiolan-3-ol (CID 83190158) is 4-[(4-tert-butylphenyl)methyl]thiolan-3-ol.
What is the SMILES notation for 4-[(4-tert-butylphenyl)methyl]thiolan-3-ol?
The canonical SMILES for 4-[(4-tert-butylphenyl)methyl]thiolan-3-ol is CC(C)(C)c1ccc(CC2CSCC2O)cc1.
What is the InChIKey of 4-[(4-tert-butylphenyl)methyl]thiolan-3-ol?
The InChIKey is FWEAURREYLVHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OS/c1-15(2,3)13-6-4-11(5-7-13)8-12-9-17-10-14(12)16/h4-7,12,14,16H,8-10H2,1-3H3.
What are the key properties of 4-[(4-tert-butylphenyl)methyl]thiolan-3-ol?
4-[(4-tert-butylphenyl)methyl]thiolan-3-ol has a molecular weight of 250.41 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenyl)methyl]thiolan-3-ol is sourced from PubChem (CID 83190158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).