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

C16H19NO2S — CID 784242

IUPAC2-ethoxy-4-[(2-methylsulfanylanilino)methyl]phenol
SMILESCCOc1cc(CNc2ccccc2SC)ccc1O
InChIInChI=1S/C16H19NO2S/c1-3-19-15-10-12(8-9-14(15)18)11-17-13-6-4-5-7-16(13)20-2/h4-10,17-18H,3,11H2,1-2H3
InChIKeyAVVSGWSNIJODSA-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.12
Rot. Bonds6

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

2-ethoxy-4-[(2-methylsulfanylanilino)methyl]phenol (PubChem CID 784242) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-ethoxy-4-[(2-methylsulfanylanilino)methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[(2-methylsulfanylanilino)methyl]phenol
PubChem CID784242
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name2-ethoxy-4-[(2-methylsulfanylanilino)methyl]phenol
SMILESCCOc1cc(CNc2ccccc2SC)ccc1O
InChIInChI=1S/C16H19NO2S/c1-3-19-15-10-12(8-9-14(15)18)11-17-13-6-4-5-7-16(13)20-2/h4-10,17-18H,3,11H2,1-2H3
InChIKeyAVVSGWSNIJODSA-UHFFFAOYSA-N
XLogP4.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(2-methylsulfanylanilino)methyl]phenol?
The IUPAC name of 2-ethoxy-4-[(2-methylsulfanylanilino)methyl]phenol (CID 784242) is 2-ethoxy-4-[(2-methylsulfanylanilino)methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[(2-methylsulfanylanilino)methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[(2-methylsulfanylanilino)methyl]phenol is CCOc1cc(CNc2ccccc2SC)ccc1O.
What is the InChIKey of 2-ethoxy-4-[(2-methylsulfanylanilino)methyl]phenol?
The InChIKey is AVVSGWSNIJODSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-3-19-15-10-12(8-9-14(15)18)11-17-13-6-4-5-7-16(13)20-2/h4-10,17-18H,3,11H2,1-2H3.
What are the key properties of 2-ethoxy-4-[(2-methylsulfanylanilino)methyl]phenol?
2-ethoxy-4-[(2-methylsulfanylanilino)methyl]phenol has a molecular weight of 289.40 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(2-methylsulfanylanilino)methyl]phenol is sourced from PubChem (CID 784242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).