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

C13H18OS — CID 105078128

IUPAC2-(2-methylphenyl)-1-(thiolan-3-yl)ethanol
SMILESCc1ccccc1CC(O)C1CCSC1
InChIInChI=1S/C13H18OS/c1-10-4-2-3-5-11(10)8-13(14)12-6-7-15-9-12/h2-5,12-14H,6-9H2,1H3
InChIKeyVVGZENAZMVYPKG-UHFFFAOYSA-N
MW222.35 g/mol
LogP2.65
Rot. Bonds3

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

2-(2-methylphenyl)-1-(thiolan-3-yl)ethanol (PubChem CID 105078128) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-(thiolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-(thiolan-3-yl)ethanol
PubChem CID105078128
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name2-(2-methylphenyl)-1-(thiolan-3-yl)ethanol
SMILESCc1ccccc1CC(O)C1CCSC1
InChIInChI=1S/C13H18OS/c1-10-4-2-3-5-11(10)8-13(14)12-6-7-15-9-12/h2-5,12-14H,6-9H2,1H3
InChIKeyVVGZENAZMVYPKG-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

N-ethyl-2-(2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105091772
2-(4-methylphenyl)-1-(thiolan-3-yl)ethanol
CID 105077394
2-(2-methylphenyl)-1-(4-propylcyclohexyl)ethanol
CID 65424111
ethane;(1S)-2-(2-methylphenyl)-1-piperidin-4-ylethanol
CID 91312100
2-(2-methylphenyl)-1-(oxan-3-yl)ethanol
CID 63013338
2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanol
CID 105076793
1-(2-methylcyclopentyl)-2-(2-methylphenyl)ethanol
CID 107183436
2-(1-methylbenzimidazol-2-yl)-1-(thiolan-3-yl)ethanol
CID 105111555
1-(2-methylphenyl)-N-(thiolan-3-ylmethyl)propan-2-amine
CID 107131856
1-(2-chloro-2-cyclopropylethyl)-2-methylbenzene
CID 63015916
1-(thiolan-3-yl)-2-thiophen-3-ylethanol
CID 105089532
1-(2-cyclopropylbutyl)-2-methylbenzene
CID 163903555

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-(thiolan-3-yl)ethanol?
The IUPAC name of 2-(2-methylphenyl)-1-(thiolan-3-yl)ethanol (CID 105078128) is 2-(2-methylphenyl)-1-(thiolan-3-yl)ethanol.
What is the SMILES notation for 2-(2-methylphenyl)-1-(thiolan-3-yl)ethanol?
The canonical SMILES for 2-(2-methylphenyl)-1-(thiolan-3-yl)ethanol is Cc1ccccc1CC(O)C1CCSC1.
What is the InChIKey of 2-(2-methylphenyl)-1-(thiolan-3-yl)ethanol?
The InChIKey is VVGZENAZMVYPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c1-10-4-2-3-5-11(10)8-13(14)12-6-7-15-9-12/h2-5,12-14H,6-9H2,1H3.
What are the key properties of 2-(2-methylphenyl)-1-(thiolan-3-yl)ethanol?
2-(2-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-(2-methylphenyl)-1-(thiolan-3-yl)ethanol is sourced from PubChem (CID 105078128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).