2-(4-methylphenyl)-1-(thiolan-3-yl)ethanol

C13H18OS — CID 105077394

IUPAC2-(4-methylphenyl)-1-(thiolan-3-yl)ethanol
SMILESCc1ccc(CC(O)C2CCSC2)cc1
InChIInChI=1S/C13H18OS/c1-10-2-4-11(5-3-10)8-13(14)12-6-7-15-9-12/h2-5,12-14H,6-9H2,1H3
InChIKeyLIWQUALNPYRUDG-UHFFFAOYSA-N
MW222.35 g/mol
LogP2.65
Rot. Bonds3

About 2-(4-methylphenyl)-1-(thiolan-3-yl)ethanol

2-(4-methylphenyl)-1-(thiolan-3-yl)ethanol (PubChem CID 105077394) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-(thiolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-(thiolan-3-yl)ethanol
PubChem CID105077394
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name2-(4-methylphenyl)-1-(thiolan-3-yl)ethanol
SMILESCc1ccc(CC(O)C2CCSC2)cc1
InChIInChI=1S/C13H18OS/c1-10-2-4-11(5-3-10)8-13(14)12-6-7-15-9-12/h2-5,12-14H,6-9H2,1H3
InChIKeyLIWQUALNPYRUDG-UHFFFAOYSA-N
XLogP2.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-cyclopropyl-2-(4-methylphenyl)ethanol
CID 39236667
1-(thiolan-3-yl)-2-thiophen-3-ylethanol
CID 105089532
2-(2-methylphenyl)-1-(thiolan-3-yl)ethanol
CID 105078128
2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanol
CID 105076793
2-(1,2,5-thiadiazol-3-yl)-1-(thiolan-3-yl)ethanol
CID 130815238
2-(1-propan-2-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanol
CID 105103437
2-(4-tert-butylphenyl)-1-cyclopropylethanol
CID 62608769
1-cyclopropyl-2-(4-methylphenyl)ethanamine
CID 60818816
1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol
CID 116712560
2-(1-methylbenzimidazol-2-yl)-1-(thiolan-3-yl)ethanol
CID 105111555
2-(4-ethylphenyl)-1-(4-methylcyclohexyl)ethanol
CID 63410677
2-(4-iodophenyl)-1-(thiolan-3-yl)ethanamine
CID 105151993

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-(thiolan-3-yl)ethanol?
The IUPAC name of 2-(4-methylphenyl)-1-(thiolan-3-yl)ethanol (CID 105077394) is 2-(4-methylphenyl)-1-(thiolan-3-yl)ethanol.
What is the SMILES notation for 2-(4-methylphenyl)-1-(thiolan-3-yl)ethanol?
The canonical SMILES for 2-(4-methylphenyl)-1-(thiolan-3-yl)ethanol is Cc1ccc(CC(O)C2CCSC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-(thiolan-3-yl)ethanol?
The InChIKey is LIWQUALNPYRUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c1-10-2-4-11(5-3-10)8-13(14)12-6-7-15-9-12/h2-5,12-14H,6-9H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1-(thiolan-3-yl)ethanol?
2-(4-methylphenyl)-1-(thiolan-3-yl)ethanol has a molecular weight of 222.35 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-(thiolan-3-yl)ethanol is sourced from PubChem (CID 105077394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).