3-ethyl-4-(2-ethyl-4-hydroxyphenyl)sulfanylphenol

C16H18O2S — CID 22150004

IUPAC3-ethyl-4-(2-ethyl-4-hydroxyphenyl)sulfanylphenol
SMILESCCc1cc(O)ccc1Sc1ccc(O)cc1CC
InChIInChI=1S/C16H18O2S/c1-3-11-9-13(17)5-7-15(11)19-16-8-6-14(18)10-12(16)4-2/h5-10,17-18H,3-4H2,1-2H3
InChIKeyPUHLWDSZVTZIHR-UHFFFAOYSA-N
MW274.38 g/mol
LogP4.37
Rot. Bonds4

About 3-ethyl-4-(2-ethyl-4-hydroxyphenyl)sulfanylphenol

3-ethyl-4-(2-ethyl-4-hydroxyphenyl)sulfanylphenol (PubChem CID 22150004) has the molecular formula C16H18O2S and a molecular weight of 274.38 g/mol. Its IUPAC name is 3-ethyl-4-(2-ethyl-4-hydroxyphenyl)sulfanylphenol.

Molecular Properties

Compound Name3-ethyl-4-(2-ethyl-4-hydroxyphenyl)sulfanylphenol
PubChem CID22150004
Molecular FormulaC16H18O2S
Molecular Weight274.38 g/mol
Exact Mass274.10
IUPAC Name3-ethyl-4-(2-ethyl-4-hydroxyphenyl)sulfanylphenol
SMILESCCc1cc(O)ccc1Sc1ccc(O)cc1CC
InChIInChI=1S/C16H18O2S/c1-3-11-9-13(17)5-7-15(11)19-16-8-6-14(18)10-12(16)4-2/h5-10,17-18H,3-4H2,1-2H3
InChIKeyPUHLWDSZVTZIHR-UHFFFAOYSA-N
XLogP4.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2-ethyl-4-hydroxyphenyl)sulfanylphenol?
The IUPAC name of 3-ethyl-4-(2-ethyl-4-hydroxyphenyl)sulfanylphenol (CID 22150004) is 3-ethyl-4-(2-ethyl-4-hydroxyphenyl)sulfanylphenol.
What is the SMILES notation for 3-ethyl-4-(2-ethyl-4-hydroxyphenyl)sulfanylphenol?
The canonical SMILES for 3-ethyl-4-(2-ethyl-4-hydroxyphenyl)sulfanylphenol is CCc1cc(O)ccc1Sc1ccc(O)cc1CC.
What is the InChIKey of 3-ethyl-4-(2-ethyl-4-hydroxyphenyl)sulfanylphenol?
The InChIKey is PUHLWDSZVTZIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c1-3-11-9-13(17)5-7-15(11)19-16-8-6-14(18)10-12(16)4-2/h5-10,17-18H,3-4H2,1-2H3.
What are the key properties of 3-ethyl-4-(2-ethyl-4-hydroxyphenyl)sulfanylphenol?
3-ethyl-4-(2-ethyl-4-hydroxyphenyl)sulfanylphenol has a molecular weight of 274.38 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2-ethyl-4-hydroxyphenyl)sulfanylphenol is sourced from PubChem (CID 22150004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).