2-methoxy-6-[(2-methylsulfanylphenyl)iminomethyl]phenol

C15H15NO2S — CID 135595546

IUPAC2-methoxy-6-[(2-methylsulfanylphenyl)iminomethyl]phenol
SMILESCOc1cccc(/C=N/c2ccccc2SC)c1O
InChIInChI=1S/C15H15NO2S/c1-18-13-8-5-6-11(15(13)17)10-16-12-7-3-4-9-14(12)19-2/h3-10,17H,1-2H3/b16-10+
InChIKeyLKNZEEFNBORWCY-MHWRWJLKSA-N
MW273.36 g/mol
LogP3.87
Rot. Bonds4

About 2-methoxy-6-[(2-methylsulfanylphenyl)iminomethyl]phenol

2-methoxy-6-[(2-methylsulfanylphenyl)iminomethyl]phenol (PubChem CID 135595546) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-methoxy-6-[(2-methylsulfanylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[(2-methylsulfanylphenyl)iminomethyl]phenol
PubChem CID135595546
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name2-methoxy-6-[(2-methylsulfanylphenyl)iminomethyl]phenol
SMILESCOc1cccc(/C=N/c2ccccc2SC)c1O
InChIInChI=1S/C15H15NO2S/c1-18-13-8-5-6-11(15(13)17)10-16-12-7-3-4-9-14(12)19-2/h3-10,17H,1-2H3/b16-10+
InChIKeyLKNZEEFNBORWCY-MHWRWJLKSA-N
XLogP3.87
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(2-methylsulfanylphenyl)iminomethyl]phenol?
The IUPAC name of 2-methoxy-6-[(2-methylsulfanylphenyl)iminomethyl]phenol (CID 135595546) is 2-methoxy-6-[(2-methylsulfanylphenyl)iminomethyl]phenol.
What is the SMILES notation for 2-methoxy-6-[(2-methylsulfanylphenyl)iminomethyl]phenol?
The canonical SMILES for 2-methoxy-6-[(2-methylsulfanylphenyl)iminomethyl]phenol is COc1cccc(/C=N/c2ccccc2SC)c1O.
What is the InChIKey of 2-methoxy-6-[(2-methylsulfanylphenyl)iminomethyl]phenol?
The InChIKey is LKNZEEFNBORWCY-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-18-13-8-5-6-11(15(13)17)10-16-12-7-3-4-9-14(12)19-2/h3-10,17H,1-2H3/b16-10+.
What are the key properties of 2-methoxy-6-[(2-methylsulfanylphenyl)iminomethyl]phenol?
2-methoxy-6-[(2-methylsulfanylphenyl)iminomethyl]phenol has a molecular weight of 273.36 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(2-methylsulfanylphenyl)iminomethyl]phenol is sourced from PubChem (CID 135595546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).