2-methyl-6-(2-methylpropylsulfanylmethyl)phenol

C12H18OS — CID 141259421

IUPAC2-methyl-6-(2-methylpropylsulfanylmethyl)phenol
SMILESCc1cccc(CSCC(C)C)c1O
InChIInChI=1S/C12H18OS/c1-9(2)7-14-8-11-6-4-5-10(3)12(11)13/h4-6,9,13H,7-8H2,1-3H3
InChIKeyLCCJUUIHAWPDPW-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.59
Rot. Bonds4

About 2-methyl-6-(2-methylpropylsulfanylmethyl)phenol

2-methyl-6-(2-methylpropylsulfanylmethyl)phenol (PubChem CID 141259421) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is 2-methyl-6-(2-methylpropylsulfanylmethyl)phenol.

Molecular Properties

Compound Name2-methyl-6-(2-methylpropylsulfanylmethyl)phenol
PubChem CID141259421
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name2-methyl-6-(2-methylpropylsulfanylmethyl)phenol
SMILESCc1cccc(CSCC(C)C)c1O
InChIInChI=1S/C12H18OS/c1-9(2)7-14-8-11-6-4-5-10(3)12(11)13/h4-6,9,13H,7-8H2,1-3H3
InChIKeyLCCJUUIHAWPDPW-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylpropylsulfanylmethyl)phenol?
The IUPAC name of 2-methyl-6-(2-methylpropylsulfanylmethyl)phenol (CID 141259421) is 2-methyl-6-(2-methylpropylsulfanylmethyl)phenol.
What is the SMILES notation for 2-methyl-6-(2-methylpropylsulfanylmethyl)phenol?
The canonical SMILES for 2-methyl-6-(2-methylpropylsulfanylmethyl)phenol is Cc1cccc(CSCC(C)C)c1O.
What is the InChIKey of 2-methyl-6-(2-methylpropylsulfanylmethyl)phenol?
The InChIKey is LCCJUUIHAWPDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-9(2)7-14-8-11-6-4-5-10(3)12(11)13/h4-6,9,13H,7-8H2,1-3H3.
What are the key properties of 2-methyl-6-(2-methylpropylsulfanylmethyl)phenol?
2-methyl-6-(2-methylpropylsulfanylmethyl)phenol has a molecular weight of 210.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylpropylsulfanylmethyl)phenol is sourced from PubChem (CID 141259421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).