3-[2-(2-methylphenoxy)ethylsulfanyl]phenol

C15H16O2S — CID 104590716

IUPAC3-[2-(2-methylphenoxy)ethylsulfanyl]phenol
SMILESCc1ccccc1OCCSc1cccc(O)c1
InChIInChI=1S/C15H16O2S/c1-12-5-2-3-8-15(12)17-9-10-18-14-7-4-6-13(16)11-14/h2-8,11,16H,9-10H2,1H3
InChIKeyFFZXGOZFJXUHGH-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.87
Rot. Bonds5

About 3-[2-(2-methylphenoxy)ethylsulfanyl]phenol

3-[2-(2-methylphenoxy)ethylsulfanyl]phenol (PubChem CID 104590716) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-[2-(2-methylphenoxy)ethylsulfanyl]phenol.

Molecular Properties

Compound Name3-[2-(2-methylphenoxy)ethylsulfanyl]phenol
PubChem CID104590716
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name3-[2-(2-methylphenoxy)ethylsulfanyl]phenol
SMILESCc1ccccc1OCCSc1cccc(O)c1
InChIInChI=1S/C15H16O2S/c1-12-5-2-3-8-15(12)17-9-10-18-14-7-4-6-13(16)11-14/h2-8,11,16H,9-10H2,1H3
InChIKeyFFZXGOZFJXUHGH-UHFFFAOYSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylphenoxy)ethylsulfanyl]phenol?
The IUPAC name of 3-[2-(2-methylphenoxy)ethylsulfanyl]phenol (CID 104590716) is 3-[2-(2-methylphenoxy)ethylsulfanyl]phenol.
What is the SMILES notation for 3-[2-(2-methylphenoxy)ethylsulfanyl]phenol?
The canonical SMILES for 3-[2-(2-methylphenoxy)ethylsulfanyl]phenol is Cc1ccccc1OCCSc1cccc(O)c1.
What is the InChIKey of 3-[2-(2-methylphenoxy)ethylsulfanyl]phenol?
The InChIKey is FFZXGOZFJXUHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-12-5-2-3-8-15(12)17-9-10-18-14-7-4-6-13(16)11-14/h2-8,11,16H,9-10H2,1H3.
What are the key properties of 3-[2-(2-methylphenoxy)ethylsulfanyl]phenol?
3-[2-(2-methylphenoxy)ethylsulfanyl]phenol has a molecular weight of 260.36 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylphenoxy)ethylsulfanyl]phenol is sourced from PubChem (CID 104590716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).