(2-phenylsulfanylphenyl)methanol

C13H12OS — CID 12682368

IUPAC(2-phenylsulfanylphenyl)methanol
SMILESOCc1ccccc1Sc1ccccc1
InChIInChI=1S/C13H12OS/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9,14H,10H2
InChIKeyFGJNSZRGWUMNNR-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.33
Rot. Bonds3

About (2-phenylsulfanylphenyl)methanol

(2-phenylsulfanylphenyl)methanol (PubChem CID 12682368) has the molecular formula C13H12OS and a molecular weight of 216.31 g/mol. Its IUPAC name is (2-phenylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(2-phenylsulfanylphenyl)methanol
PubChem CID12682368
Molecular FormulaC13H12OS
Molecular Weight216.31 g/mol
Exact Mass216.06
IUPAC Name(2-phenylsulfanylphenyl)methanol
SMILESOCc1ccccc1Sc1ccccc1
InChIInChI=1S/C13H12OS/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9,14H,10H2
InChIKeyFGJNSZRGWUMNNR-UHFFFAOYSA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-phenylsulfanylphenyl)methanol?
The IUPAC name of (2-phenylsulfanylphenyl)methanol (CID 12682368) is (2-phenylsulfanylphenyl)methanol.
What is the SMILES notation for (2-phenylsulfanylphenyl)methanol?
The canonical SMILES for (2-phenylsulfanylphenyl)methanol is OCc1ccccc1Sc1ccccc1.
What is the InChIKey of (2-phenylsulfanylphenyl)methanol?
The InChIKey is FGJNSZRGWUMNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12OS/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9,14H,10H2.
What are the key properties of (2-phenylsulfanylphenyl)methanol?
(2-phenylsulfanylphenyl)methanol has a molecular weight of 216.31 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylsulfanylphenyl)methanol is sourced from PubChem (CID 12682368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).