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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Related Compounds

2-[4-[4-(2-hydroxyethylsulfanyl)-2,3,5,6-tetramethylphenyl]sulfanyl-2,3,5,6-tetramethylphenyl]sulfanylethanol
CID 139950677
3-(2,6-dimethylphenyl)sulfanylpropan-1-ol
CID 143590837
2-[4-[(tert-butylamino)methyl]-2,6-difluorophenyl]sulfanylethanol
CID 55238305
2,3,5,6-tetrakis(2-hydroxyethylsulfanyl)benzene-1,4-diol
CID 19864001
3-(2,4,6-trimethylphenyl)sulfanylpropanenitrile
CID 117033966
(4-tert-butyl-N,2,6-trimethylanilino)methanol
CID 115228844
3-(4-tert-butyl-2,6-dimethylanilino)-3-methylbutan-1-ol
CID 115133840
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 60686630
3-amino-2-(4-tert-butyl-2,6-dimethylphenyl)propan-1-ol
CID 82291424
25,26,27,28-tetrakis(2-bromoethylsulfanyl)-5,11,17,23-tetratert-butyl-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
CID 101211813
2-(2,3,4-trimethylphenyl)sulfanylethanol
CID 116852718
2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]propan-1-ol
CID 112695464

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).