2-methoxy-1-phenyl-2-phenylsulfanylethanol

C15H16O2S — CID 13215952

IUPAC2-methoxy-1-phenyl-2-phenylsulfanylethanol
SMILESCOC(Sc1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C15H16O2S/c1-17-15(18-13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,14-16H,1H3
InChIKeyJVWDMTBSDNNAJF-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.48
Rot. Bonds5

About 2-methoxy-1-phenyl-2-phenylsulfanylethanol

2-methoxy-1-phenyl-2-phenylsulfanylethanol (PubChem CID 13215952) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-methoxy-1-phenyl-2-phenylsulfanylethanol.

Molecular Properties

Compound Name2-methoxy-1-phenyl-2-phenylsulfanylethanol
PubChem CID13215952
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name2-methoxy-1-phenyl-2-phenylsulfanylethanol
SMILESCOC(Sc1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C15H16O2S/c1-17-15(18-13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,14-16H,1H3
InChIKeyJVWDMTBSDNNAJF-UHFFFAOYSA-N
XLogP3.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Thiochroman-4-ol
CID 375102
[2-(Phenylsulfanyl)phenyl]methanol
CID 12682368
(4R)-3,4-dihydro-2H-1-benzothiopyran-4-ol
CID 7812615
1-Phenyl-2-(phenylsulfinyl)ethanol
CID 288472
(4-(Tert-butylsulfanyl)phenyl)methanol
CID 11830367
1-Phenyl-2-(methylthio)ethanol
CID 3014579
p-(Phenylthio)benzyl alcohol
CID 80593
4-Fluoro-4'-(methylthio)benzhydrol
CID 2759039
[4-(Benzylsulfanyl)phenyl]methanol
CID 4349993
(4-(Propan-2-ylsulfanyl)phenyl)methanol
CID 54216650
[4-(Propylsulfanyl)phenyl]methanol
CID 63812902
(4-((2-Methylpropyl)sulfanyl)phenyl)methanol
CID 63814318

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-phenyl-2-phenylsulfanylethanol?
The IUPAC name of 2-methoxy-1-phenyl-2-phenylsulfanylethanol (CID 13215952) is 2-methoxy-1-phenyl-2-phenylsulfanylethanol.
What is the SMILES notation for 2-methoxy-1-phenyl-2-phenylsulfanylethanol?
The canonical SMILES for 2-methoxy-1-phenyl-2-phenylsulfanylethanol is COC(Sc1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 2-methoxy-1-phenyl-2-phenylsulfanylethanol?
The InChIKey is JVWDMTBSDNNAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-17-15(18-13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,14-16H,1H3.
What are the key properties of 2-methoxy-1-phenyl-2-phenylsulfanylethanol?
2-methoxy-1-phenyl-2-phenylsulfanylethanol has a molecular weight of 260.36 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-phenyl-2-phenylsulfanylethanol is sourced from PubChem (CID 13215952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).