2-(2,3,5,6-tetraethylphenyl)sulfanylethanol

C16H26OS — CID 57025425

IUPAC2-(2,3,5,6-tetraethylphenyl)sulfanylethanol
SMILESCCc1cc(CC)c(CC)c(SCCO)c1CC
InChIInChI=1S/C16H26OS/c1-5-12-11-13(6-2)15(8-4)16(14(12)7-3)18-10-9-17/h11,17H,5-10H2,1-4H3
InChIKeyONEOEHJKDLUNFT-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.02
Rot. Bonds7

About 2-(2,3,5,6-tetraethylphenyl)sulfanylethanol

2-(2,3,5,6-tetraethylphenyl)sulfanylethanol (PubChem CID 57025425) has the molecular formula C16H26OS and a molecular weight of 266.45 g/mol. Its IUPAC name is 2-(2,3,5,6-tetraethylphenyl)sulfanylethanol.

Molecular Properties

Compound Name2-(2,3,5,6-tetraethylphenyl)sulfanylethanol
PubChem CID57025425
Molecular FormulaC16H26OS
Molecular Weight266.45 g/mol
Exact Mass266.17
IUPAC Name2-(2,3,5,6-tetraethylphenyl)sulfanylethanol
SMILESCCc1cc(CC)c(CC)c(SCCO)c1CC
InChIInChI=1S/C16H26OS/c1-5-12-11-13(6-2)15(8-4)16(14(12)7-3)18-10-9-17/h11,17H,5-10H2,1-4H3
InChIKeyONEOEHJKDLUNFT-UHFFFAOYSA-N
XLogP4.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,3,5,6-tetraethylphenyl)sulfanylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5,6-tetraethylphenyl)sulfanylethanol?
The IUPAC name of 2-(2,3,5,6-tetraethylphenyl)sulfanylethanol (CID 57025425) is 2-(2,3,5,6-tetraethylphenyl)sulfanylethanol.
What is the SMILES notation for 2-(2,3,5,6-tetraethylphenyl)sulfanylethanol?
The canonical SMILES for 2-(2,3,5,6-tetraethylphenyl)sulfanylethanol is CCc1cc(CC)c(CC)c(SCCO)c1CC.
What is the InChIKey of 2-(2,3,5,6-tetraethylphenyl)sulfanylethanol?
The InChIKey is ONEOEHJKDLUNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26OS/c1-5-12-11-13(6-2)15(8-4)16(14(12)7-3)18-10-9-17/h11,17H,5-10H2,1-4H3.
What are the key properties of 2-(2,3,5,6-tetraethylphenyl)sulfanylethanol?
2-(2,3,5,6-tetraethylphenyl)sulfanylethanol has a molecular weight of 266.45 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5,6-tetraethylphenyl)sulfanylethanol is sourced from PubChem (CID 57025425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).