2-(4-tert-butyl-2,6-dimethylphenyl)sulfanylethanol

C14H22OS — CID 116852669

IUPAC2-(4-tert-butyl-2,6-dimethylphenyl)sulfanylethanol
SMILESCc1cc(C(C)(C)C)cc(C)c1SCCO
InChIInChI=1S/C14H22OS/c1-10-8-12(14(3,4)5)9-11(2)13(10)16-7-6-15/h8-9,15H,6-7H2,1-5H3
InChIKeyAXPMCFWIQOZESL-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.69
Rot. Bonds3

About 2-(4-tert-butyl-2,6-dimethylphenyl)sulfanylethanol

2-(4-tert-butyl-2,6-dimethylphenyl)sulfanylethanol (PubChem CID 116852669) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-(4-tert-butyl-2,6-dimethylphenyl)sulfanylethanol.

Molecular Properties

Compound Name2-(4-tert-butyl-2,6-dimethylphenyl)sulfanylethanol
PubChem CID116852669
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name2-(4-tert-butyl-2,6-dimethylphenyl)sulfanylethanol
SMILESCc1cc(C(C)(C)C)cc(C)c1SCCO
InChIInChI=1S/C14H22OS/c1-10-8-12(14(3,4)5)9-11(2)13(10)16-7-6-15/h8-9,15H,6-7H2,1-5H3
InChIKeyAXPMCFWIQOZESL-UHFFFAOYSA-N
XLogP3.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)sulfanylethanol?
The IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)sulfanylethanol (CID 116852669) is 2-(4-tert-butyl-2,6-dimethylphenyl)sulfanylethanol.
What is the SMILES notation for 2-(4-tert-butyl-2,6-dimethylphenyl)sulfanylethanol?
The canonical SMILES for 2-(4-tert-butyl-2,6-dimethylphenyl)sulfanylethanol is Cc1cc(C(C)(C)C)cc(C)c1SCCO.
What is the InChIKey of 2-(4-tert-butyl-2,6-dimethylphenyl)sulfanylethanol?
The InChIKey is AXPMCFWIQOZESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-10-8-12(14(3,4)5)9-11(2)13(10)16-7-6-15/h8-9,15H,6-7H2,1-5H3.
What are the key properties of 2-(4-tert-butyl-2,6-dimethylphenyl)sulfanylethanol?
2-(4-tert-butyl-2,6-dimethylphenyl)sulfanylethanol has a molecular weight of 238.40 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2,6-dimethylphenyl)sulfanylethanol is sourced from PubChem (CID 116852669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).