4,4-dimethyl-2-phenylthiolan-3-ol

C12H16OS — CID 10856707

IUPAC4,4-dimethyl-2-phenylthiolan-3-ol
SMILESCC1(C)CSC(c2ccccc2)C1O
InChIInChI=1S/C12H16OS/c1-12(2)8-14-10(11(12)13)9-6-4-3-5-7-9/h3-7,10-11,13H,8H2,1-2H3
InChIKeyDOOVQVYQFFJURK-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.86
Rot. Bonds1

About 4,4-dimethyl-2-phenylthiolan-3-ol

4,4-dimethyl-2-phenylthiolan-3-ol (PubChem CID 10856707) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 4,4-dimethyl-2-phenylthiolan-3-ol.

Molecular Properties

Compound Name4,4-dimethyl-2-phenylthiolan-3-ol
PubChem CID10856707
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name4,4-dimethyl-2-phenylthiolan-3-ol
SMILESCC1(C)CSC(c2ccccc2)C1O
InChIInChI=1S/C12H16OS/c1-12(2)8-14-10(11(12)13)9-6-4-3-5-7-9/h3-7,10-11,13H,8H2,1-2H3
InChIKeyDOOVQVYQFFJURK-UHFFFAOYSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Dimethyl-1-phenylbutan-2-ol
CID 5051506
6-(6-Hydroxy-5-methyl-5-phenylhexylsulfinyl)-2-methyl-2-phenylhexan-1-ol
CID 9980142
5-(5-Hydroxy-4-methyl-4-phenylpentylsulfinyl)-2-methyl-2-phenylpentan-1-ol
CID 10092534
5-(5-Hydroxy-4-methyl-4-phenylpentylsulfanyl)-2-methyl-2-phenylpentan-1-ol
CID 10156997
6-(6-Hydroxy-5-methyl-5-phenylhexylsulfanyl)-2-methyl-2-phenylhexan-1-ol
CID 10201894
1-Phenyl-2-(methylthio)ethanol
CID 3014579
1,3-Propanediol, 2-(p-(butylthio)phenyl)-2-ethyl-
CID 213096
1-(1-Hydroxy-2-phenylethyl)sulfanyl-2-phenylethanol
CID 163195816
beta-(Methylthio)benzeneethanol
CID 11367227
3-Methyl-3-phenylbutan-2-ol
CID 13130283
(1S,2S)-2-(benzylsulfanyl)cyclohexan-1-ol
CID 11831041
5-Benzyl-1,3-oxathiolane-2-thione
CID 23568274

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-phenylthiolan-3-ol?
The IUPAC name of 4,4-dimethyl-2-phenylthiolan-3-ol (CID 10856707) is 4,4-dimethyl-2-phenylthiolan-3-ol.
What is the SMILES notation for 4,4-dimethyl-2-phenylthiolan-3-ol?
The canonical SMILES for 4,4-dimethyl-2-phenylthiolan-3-ol is CC1(C)CSC(c2ccccc2)C1O.
What is the InChIKey of 4,4-dimethyl-2-phenylthiolan-3-ol?
The InChIKey is DOOVQVYQFFJURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-12(2)8-14-10(11(12)13)9-6-4-3-5-7-9/h3-7,10-11,13H,8H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-phenylthiolan-3-ol?
4,4-dimethyl-2-phenylthiolan-3-ol has a molecular weight of 208.33 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-phenylthiolan-3-ol is sourced from PubChem (CID 10856707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).