[2-methyl-4-(4-methylsulfanylphenoxy)phenyl]methanol

C15H16O2S — CID 63649361

IUPAC[2-methyl-4-(4-methylsulfanylphenoxy)phenyl]methanol
SMILESCSc1ccc(Oc2ccc(CO)c(C)c2)cc1
InChIInChI=1S/C15H16O2S/c1-11-9-14(4-3-12(11)10-16)17-13-5-7-15(18-2)8-6-13/h3-9,16H,10H2,1-2H3
InChIKeyCNWFQOQSFRHVKU-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.00
Rot. Bonds4

About [2-methyl-4-(4-methylsulfanylphenoxy)phenyl]methanol

[2-methyl-4-(4-methylsulfanylphenoxy)phenyl]methanol (PubChem CID 63649361) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is [2-methyl-4-(4-methylsulfanylphenoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-methyl-4-(4-methylsulfanylphenoxy)phenyl]methanol
PubChem CID63649361
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name[2-methyl-4-(4-methylsulfanylphenoxy)phenyl]methanol
SMILESCSc1ccc(Oc2ccc(CO)c(C)c2)cc1
InChIInChI=1S/C15H16O2S/c1-11-9-14(4-3-12(11)10-16)17-13-5-7-15(18-2)8-6-13/h3-9,16H,10H2,1-2H3
InChIKeyCNWFQOQSFRHVKU-UHFFFAOYSA-N
XLogP4.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(4-methylsulfanylphenoxy)phenyl]methanol?
The IUPAC name of [2-methyl-4-(4-methylsulfanylphenoxy)phenyl]methanol (CID 63649361) is [2-methyl-4-(4-methylsulfanylphenoxy)phenyl]methanol.
What is the SMILES notation for [2-methyl-4-(4-methylsulfanylphenoxy)phenyl]methanol?
The canonical SMILES for [2-methyl-4-(4-methylsulfanylphenoxy)phenyl]methanol is CSc1ccc(Oc2ccc(CO)c(C)c2)cc1.
What is the InChIKey of [2-methyl-4-(4-methylsulfanylphenoxy)phenyl]methanol?
The InChIKey is CNWFQOQSFRHVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-11-9-14(4-3-12(11)10-16)17-13-5-7-15(18-2)8-6-13/h3-9,16H,10H2,1-2H3.
What are the key properties of [2-methyl-4-(4-methylsulfanylphenoxy)phenyl]methanol?
[2-methyl-4-(4-methylsulfanylphenoxy)phenyl]methanol has a molecular weight of 260.36 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(4-methylsulfanylphenoxy)phenyl]methanol is sourced from PubChem (CID 63649361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).