2-(2-methylsulfanylphenyl)-6-phenylphenol

C19H16OS — CID 142823591

IUPAC2-(2-methylsulfanylphenyl)-6-phenylphenol
SMILESCSc1ccccc1-c1cccc(-c2ccccc2)c1O
InChIInChI=1S/C19H16OS/c1-21-18-13-6-5-10-16(18)17-12-7-11-15(19(17)20)14-8-3-2-4-9-14/h2-13,20H,1H3
InChIKeyPBTXEBNJUPHGEX-UHFFFAOYSA-N
MW292.40 g/mol
LogP5.45
Rot. Bonds3

About 2-(2-methylsulfanylphenyl)-6-phenylphenol

2-(2-methylsulfanylphenyl)-6-phenylphenol (PubChem CID 142823591) has the molecular formula C19H16OS and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(2-methylsulfanylphenyl)-6-phenylphenol.

Molecular Properties

Compound Name2-(2-methylsulfanylphenyl)-6-phenylphenol
PubChem CID142823591
Molecular FormulaC19H16OS
Molecular Weight292.40 g/mol
Exact Mass292.09
IUPAC Name2-(2-methylsulfanylphenyl)-6-phenylphenol
SMILESCSc1ccccc1-c1cccc(-c2ccccc2)c1O
InChIInChI=1S/C19H16OS/c1-21-18-13-6-5-10-16(18)17-12-7-11-15(19(17)20)14-8-3-2-4-9-14/h2-13,20H,1H3
InChIKeyPBTXEBNJUPHGEX-UHFFFAOYSA-N
XLogP5.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.40
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-methylsulfanylphenyl)-6-phenylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylphenyl)-6-phenylphenol?
The IUPAC name of 2-(2-methylsulfanylphenyl)-6-phenylphenol (CID 142823591) is 2-(2-methylsulfanylphenyl)-6-phenylphenol.
What is the SMILES notation for 2-(2-methylsulfanylphenyl)-6-phenylphenol?
The canonical SMILES for 2-(2-methylsulfanylphenyl)-6-phenylphenol is CSc1ccccc1-c1cccc(-c2ccccc2)c1O.
What is the InChIKey of 2-(2-methylsulfanylphenyl)-6-phenylphenol?
The InChIKey is PBTXEBNJUPHGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16OS/c1-21-18-13-6-5-10-16(18)17-12-7-11-15(19(17)20)14-8-3-2-4-9-14/h2-13,20H,1H3.
What are the key properties of 2-(2-methylsulfanylphenyl)-6-phenylphenol?
2-(2-methylsulfanylphenyl)-6-phenylphenol has a molecular weight of 292.40 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylphenyl)-6-phenylphenol is sourced from PubChem (CID 142823591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).