2-methoxy-4-[(2-methylsulfanylanilino)methyl]phenol

C15H17NO2S — CID 784359

IUPAC2-methoxy-4-[(2-methylsulfanylanilino)methyl]phenol
SMILESCOc1cc(CNc2ccccc2SC)ccc1O
InChIInChI=1S/C15H17NO2S/c1-18-14-9-11(7-8-13(14)17)10-16-12-5-3-4-6-15(12)19-2/h3-9,16-17H,10H2,1-2H3
InChIKeyMVAFKNJHVWDJGK-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.73
Rot. Bonds5

About 2-methoxy-4-[(2-methylsulfanylanilino)methyl]phenol

2-methoxy-4-[(2-methylsulfanylanilino)methyl]phenol (PubChem CID 784359) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-methoxy-4-[(2-methylsulfanylanilino)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(2-methylsulfanylanilino)methyl]phenol
PubChem CID784359
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2-methoxy-4-[(2-methylsulfanylanilino)methyl]phenol
SMILESCOc1cc(CNc2ccccc2SC)ccc1O
InChIInChI=1S/C15H17NO2S/c1-18-14-9-11(7-8-13(14)17)10-16-12-5-3-4-6-15(12)19-2/h3-9,16-17H,10H2,1-2H3
InChIKeyMVAFKNJHVWDJGK-UHFFFAOYSA-N
XLogP3.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(2-methylsulfanylanilino)methyl]phenol?
The IUPAC name of 2-methoxy-4-[(2-methylsulfanylanilino)methyl]phenol (CID 784359) is 2-methoxy-4-[(2-methylsulfanylanilino)methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(2-methylsulfanylanilino)methyl]phenol?
The canonical SMILES for 2-methoxy-4-[(2-methylsulfanylanilino)methyl]phenol is COc1cc(CNc2ccccc2SC)ccc1O.
What is the InChIKey of 2-methoxy-4-[(2-methylsulfanylanilino)methyl]phenol?
The InChIKey is MVAFKNJHVWDJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-18-14-9-11(7-8-13(14)17)10-16-12-5-3-4-6-15(12)19-2/h3-9,16-17H,10H2,1-2H3.
What are the key properties of 2-methoxy-4-[(2-methylsulfanylanilino)methyl]phenol?
2-methoxy-4-[(2-methylsulfanylanilino)methyl]phenol has a molecular weight of 275.37 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(2-methylsulfanylanilino)methyl]phenol is sourced from PubChem (CID 784359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).