2-(2-tert-butylsulfanylethyl)-2-phenylpropane-1,3-diol

C15H24O2S — CID 114271574

IUPAC2-(2-tert-butylsulfanylethyl)-2-phenylpropane-1,3-diol
SMILESCC(C)(C)SCCC(CO)(CO)c1ccccc1
InChIInChI=1S/C15H24O2S/c1-14(2,3)18-10-9-15(11-16,12-17)13-7-5-4-6-8-13/h4-8,16-17H,9-12H2,1-3H3
InChIKeyYFCCUAUVBLMELL-UHFFFAOYSA-N
MW268.42 g/mol
LogP2.83
Rot. Bonds6

About 2-(2-tert-butylsulfanylethyl)-2-phenylpropane-1,3-diol

2-(2-tert-butylsulfanylethyl)-2-phenylpropane-1,3-diol (PubChem CID 114271574) has the molecular formula C15H24O2S and a molecular weight of 268.42 g/mol. Its IUPAC name is 2-(2-tert-butylsulfanylethyl)-2-phenylpropane-1,3-diol.

Molecular Properties

Compound Name2-(2-tert-butylsulfanylethyl)-2-phenylpropane-1,3-diol
PubChem CID114271574
Molecular FormulaC15H24O2S
Molecular Weight268.42 g/mol
Exact Mass268.15
IUPAC Name2-(2-tert-butylsulfanylethyl)-2-phenylpropane-1,3-diol
SMILESCC(C)(C)SCCC(CO)(CO)c1ccccc1
InChIInChI=1S/C15H24O2S/c1-14(2,3)18-10-9-15(11-16,12-17)13-7-5-4-6-8-13/h4-8,16-17H,9-12H2,1-3H3
InChIKeyYFCCUAUVBLMELL-UHFFFAOYSA-N
XLogP2.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-butyl-2-phenylpropane-1,3-diol
CID 79449681
2-(4-methylpentyl)-2-phenylpropane-1,3-diol
CID 83168289
2-(3-ethylsulfonylpropyl)-2-phenylpropane-1,3-diol
CID 79449954
2-(2,5-dihydropyrrol-1-yl)-2-phenylpropan-1-ol
CID 105059300
4-amino-2-ethyl-2-phenylbutan-1-ol;ethane
CID 143493864
[1-bromo-2-(bromomethyl)-4-(trifluoromethylsulfanyl)butan-2-yl]benzene
CID 116628065
4-tert-butylsulfanyl-2-(cyclopropylamino)-2-phenylbutanamide
CID 116694565
2-ethyl-2-phenylnonan-1-ol
CID 66057887
2-ethyl-2-phenyldecan-1-ol
CID 66058928
2-(hydroxymethyl)-2-phenylpropane-1,3-diol;isocyanic acid
CID 175313364
3,4-dimethyl-3,4-diphenylhexane-1,6-diol
CID 102025625
3-methyl-3-phenylpentane-1,5-diol
CID 3019682

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylsulfanylethyl)-2-phenylpropane-1,3-diol?
The IUPAC name of 2-(2-tert-butylsulfanylethyl)-2-phenylpropane-1,3-diol (CID 114271574) is 2-(2-tert-butylsulfanylethyl)-2-phenylpropane-1,3-diol.
What is the SMILES notation for 2-(2-tert-butylsulfanylethyl)-2-phenylpropane-1,3-diol?
The canonical SMILES for 2-(2-tert-butylsulfanylethyl)-2-phenylpropane-1,3-diol is CC(C)(C)SCCC(CO)(CO)c1ccccc1.
What is the InChIKey of 2-(2-tert-butylsulfanylethyl)-2-phenylpropane-1,3-diol?
The InChIKey is YFCCUAUVBLMELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2S/c1-14(2,3)18-10-9-15(11-16,12-17)13-7-5-4-6-8-13/h4-8,16-17H,9-12H2,1-3H3.
What are the key properties of 2-(2-tert-butylsulfanylethyl)-2-phenylpropane-1,3-diol?
2-(2-tert-butylsulfanylethyl)-2-phenylpropane-1,3-diol has a molecular weight of 268.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylsulfanylethyl)-2-phenylpropane-1,3-diol is sourced from PubChem (CID 114271574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).