1-phenylmethoxy-3-phenylsulfanylpropan-2-ol

C16H18O2S — CID 11300310

IUPAC1-phenylmethoxy-3-phenylsulfanylpropan-2-ol
SMILESOC(COCc1ccccc1)CSc1ccccc1
InChIInChI=1S/C16H18O2S/c17-15(13-19-16-9-5-2-6-10-16)12-18-11-14-7-3-1-4-8-14/h1-10,15,17H,11-13H2
InChIKeyVDFDHXNEYRHBRP-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.36
Rot. Bonds7

About 1-phenylmethoxy-3-phenylsulfanylpropan-2-ol

1-phenylmethoxy-3-phenylsulfanylpropan-2-ol (PubChem CID 11300310) has the molecular formula C16H18O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-phenylmethoxy-3-phenylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-phenylmethoxy-3-phenylsulfanylpropan-2-ol
PubChem CID11300310
Molecular FormulaC16H18O2S
Molecular Weight274.39 g/mol
Exact Mass274.10
IUPAC Name1-phenylmethoxy-3-phenylsulfanylpropan-2-ol
SMILESOC(COCc1ccccc1)CSc1ccccc1
InChIInChI=1S/C16H18O2S/c17-15(13-19-16-9-5-2-6-10-16)12-18-11-14-7-3-1-4-8-14/h1-10,15,17H,11-13H2
InChIKeyVDFDHXNEYRHBRP-UHFFFAOYSA-N
XLogP3.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-3-phenylsulfanylpropan-2-ol?
The IUPAC name of 1-phenylmethoxy-3-phenylsulfanylpropan-2-ol (CID 11300310) is 1-phenylmethoxy-3-phenylsulfanylpropan-2-ol.
What is the SMILES notation for 1-phenylmethoxy-3-phenylsulfanylpropan-2-ol?
The canonical SMILES for 1-phenylmethoxy-3-phenylsulfanylpropan-2-ol is OC(COCc1ccccc1)CSc1ccccc1.
What is the InChIKey of 1-phenylmethoxy-3-phenylsulfanylpropan-2-ol?
The InChIKey is VDFDHXNEYRHBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c17-15(13-19-16-9-5-2-6-10-16)12-18-11-14-7-3-1-4-8-14/h1-10,15,17H,11-13H2.
What are the key properties of 1-phenylmethoxy-3-phenylsulfanylpropan-2-ol?
1-phenylmethoxy-3-phenylsulfanylpropan-2-ol has a molecular weight of 274.39 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-3-phenylsulfanylpropan-2-ol is sourced from PubChem (CID 11300310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).