2,4-dimethyl-6-(phenylsulfanylmethyl)phenol

C15H16OS — CID 141131696

IUPAC2,4-dimethyl-6-(phenylsulfanylmethyl)phenol
SMILESCc1cc(C)c(O)c(CSc2ccccc2)c1
InChIInChI=1S/C15H16OS/c1-11-8-12(2)15(16)13(9-11)10-17-14-6-4-3-5-7-14/h3-9,16H,10H2,1-2H3
InChIKeySBFAFWPPKXQGML-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.30
Rot. Bonds3

About 2,4-dimethyl-6-(phenylsulfanylmethyl)phenol

2,4-dimethyl-6-(phenylsulfanylmethyl)phenol (PubChem CID 141131696) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 2,4-dimethyl-6-(phenylsulfanylmethyl)phenol.

Molecular Properties

Compound Name2,4-dimethyl-6-(phenylsulfanylmethyl)phenol
PubChem CID141131696
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name2,4-dimethyl-6-(phenylsulfanylmethyl)phenol
SMILESCc1cc(C)c(O)c(CSc2ccccc2)c1
InChIInChI=1S/C15H16OS/c1-11-8-12(2)15(16)13(9-11)10-17-14-6-4-3-5-7-14/h3-9,16H,10H2,1-2H3
InChIKeySBFAFWPPKXQGML-UHFFFAOYSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(phenylsulfanylmethyl)phenol?
The IUPAC name of 2,4-dimethyl-6-(phenylsulfanylmethyl)phenol (CID 141131696) is 2,4-dimethyl-6-(phenylsulfanylmethyl)phenol.
What is the SMILES notation for 2,4-dimethyl-6-(phenylsulfanylmethyl)phenol?
The canonical SMILES for 2,4-dimethyl-6-(phenylsulfanylmethyl)phenol is Cc1cc(C)c(O)c(CSc2ccccc2)c1.
What is the InChIKey of 2,4-dimethyl-6-(phenylsulfanylmethyl)phenol?
The InChIKey is SBFAFWPPKXQGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-11-8-12(2)15(16)13(9-11)10-17-14-6-4-3-5-7-14/h3-9,16H,10H2,1-2H3.
What are the key properties of 2,4-dimethyl-6-(phenylsulfanylmethyl)phenol?
2,4-dimethyl-6-(phenylsulfanylmethyl)phenol has a molecular weight of 244.36 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(phenylsulfanylmethyl)phenol is sourced from PubChem (CID 141131696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).