1-phenyl-2-[2-(sulfanylmethyl)phenyl]ethanol

C15H16OS — CID 10752841

IUPAC1-phenyl-2-[2-(sulfanylmethyl)phenyl]ethanol
SMILESOC(Cc1ccccc1CS)c1ccccc1
InChIInChI=1S/C15H16OS/c16-15(12-6-2-1-3-7-12)10-13-8-4-5-9-14(13)11-17/h1-9,15-17H,10-11H2
InChIKeyXDOIOIWKBNFUAA-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.39
Rot. Bonds4

About 1-phenyl-2-[2-(sulfanylmethyl)phenyl]ethanol

1-phenyl-2-[2-(sulfanylmethyl)phenyl]ethanol (PubChem CID 10752841) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-phenyl-2-[2-(sulfanylmethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[2-(sulfanylmethyl)phenyl]ethanol
PubChem CID10752841
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name1-phenyl-2-[2-(sulfanylmethyl)phenyl]ethanol
SMILESOC(Cc1ccccc1CS)c1ccccc1
InChIInChI=1S/C15H16OS/c16-15(12-6-2-1-3-7-12)10-13-8-4-5-9-14(13)11-17/h1-9,15-17H,10-11H2
InChIKeyXDOIOIWKBNFUAA-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-phenyl-2-[2-(sulfanylmethyl)phenyl]ethanol 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 1-phenyl-2-[2-(sulfanylmethyl)phenyl]ethanol?
The IUPAC name of 1-phenyl-2-[2-(sulfanylmethyl)phenyl]ethanol (CID 10752841) is 1-phenyl-2-[2-(sulfanylmethyl)phenyl]ethanol.
What is the SMILES notation for 1-phenyl-2-[2-(sulfanylmethyl)phenyl]ethanol?
The canonical SMILES for 1-phenyl-2-[2-(sulfanylmethyl)phenyl]ethanol is OC(Cc1ccccc1CS)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[2-(sulfanylmethyl)phenyl]ethanol?
The InChIKey is XDOIOIWKBNFUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c16-15(12-6-2-1-3-7-12)10-13-8-4-5-9-14(13)11-17/h1-9,15-17H,10-11H2.
What are the key properties of 1-phenyl-2-[2-(sulfanylmethyl)phenyl]ethanol?
1-phenyl-2-[2-(sulfanylmethyl)phenyl]ethanol has a molecular weight of 244.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[2-(sulfanylmethyl)phenyl]ethanol is sourced from PubChem (CID 10752841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).