4-tert-butylsulfanyl-2,6-diethylphenol

C14H22OS — CID 66619554

IUPAC4-tert-butylsulfanyl-2,6-diethylphenol
SMILESCCc1cc(SC(C)(C)C)cc(CC)c1O
InChIInChI=1S/C14H22OS/c1-6-10-8-12(16-14(3,4)5)9-11(7-2)13(10)15/h8-9,15H,6-7H2,1-5H3
InChIKeyNSTIUSPQAHARKH-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.41
Rot. Bonds3

About 4-tert-butylsulfanyl-2,6-diethylphenol

4-tert-butylsulfanyl-2,6-diethylphenol (PubChem CID 66619554) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is 4-tert-butylsulfanyl-2,6-diethylphenol.

Molecular Properties

Compound Name4-tert-butylsulfanyl-2,6-diethylphenol
PubChem CID66619554
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name4-tert-butylsulfanyl-2,6-diethylphenol
SMILESCCc1cc(SC(C)(C)C)cc(CC)c1O
InChIInChI=1S/C14H22OS/c1-6-10-8-12(16-14(3,4)5)9-11(7-2)13(10)15/h8-9,15H,6-7H2,1-5H3
InChIKeyNSTIUSPQAHARKH-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfanyl-2,6-diethylphenol?
The IUPAC name of 4-tert-butylsulfanyl-2,6-diethylphenol (CID 66619554) is 4-tert-butylsulfanyl-2,6-diethylphenol.
What is the SMILES notation for 4-tert-butylsulfanyl-2,6-diethylphenol?
The canonical SMILES for 4-tert-butylsulfanyl-2,6-diethylphenol is CCc1cc(SC(C)(C)C)cc(CC)c1O.
What is the InChIKey of 4-tert-butylsulfanyl-2,6-diethylphenol?
The InChIKey is NSTIUSPQAHARKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-6-10-8-12(16-14(3,4)5)9-11(7-2)13(10)15/h8-9,15H,6-7H2,1-5H3.
What are the key properties of 4-tert-butylsulfanyl-2,6-diethylphenol?
4-tert-butylsulfanyl-2,6-diethylphenol has a molecular weight of 238.40 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfanyl-2,6-diethylphenol is sourced from PubChem (CID 66619554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).