1-phenoxy-3-phenylsulfanylpropan-2-ol

C15H16O2S — CID 11097315

IUPAC1-phenoxy-3-phenylsulfanylpropan-2-ol
SMILESOC(COc1ccccc1)CSc1ccccc1
InChIInChI=1S/C15H16O2S/c16-13(11-17-14-7-3-1-4-8-14)12-18-15-9-5-2-6-10-15/h1-10,13,16H,11-12H2
InChIKeyJPEZAFCTNVYSDZ-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.22
Rot. Bonds6

About 1-phenoxy-3-phenylsulfanylpropan-2-ol

1-phenoxy-3-phenylsulfanylpropan-2-ol (PubChem CID 11097315) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-phenoxy-3-phenylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-phenoxy-3-phenylsulfanylpropan-2-ol
PubChem CID11097315
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name1-phenoxy-3-phenylsulfanylpropan-2-ol
SMILESOC(COc1ccccc1)CSc1ccccc1
InChIInChI=1S/C15H16O2S/c16-13(11-17-14-7-3-1-4-8-14)12-18-15-9-5-2-6-10-15/h1-10,13,16H,11-12H2
InChIKeyJPEZAFCTNVYSDZ-UHFFFAOYSA-N
XLogP3.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-3-phenylsulfanylpropan-2-ol?
The IUPAC name of 1-phenoxy-3-phenylsulfanylpropan-2-ol (CID 11097315) is 1-phenoxy-3-phenylsulfanylpropan-2-ol.
What is the SMILES notation for 1-phenoxy-3-phenylsulfanylpropan-2-ol?
The canonical SMILES for 1-phenoxy-3-phenylsulfanylpropan-2-ol is OC(COc1ccccc1)CSc1ccccc1.
What is the InChIKey of 1-phenoxy-3-phenylsulfanylpropan-2-ol?
The InChIKey is JPEZAFCTNVYSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c16-13(11-17-14-7-3-1-4-8-14)12-18-15-9-5-2-6-10-15/h1-10,13,16H,11-12H2.
What are the key properties of 1-phenoxy-3-phenylsulfanylpropan-2-ol?
1-phenoxy-3-phenylsulfanylpropan-2-ol has a molecular weight of 260.36 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-3-phenylsulfanylpropan-2-ol is sourced from PubChem (CID 11097315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).