1-phenylmethoxy-3-phenylsulfanylpropan-2-one

C16H16O2S — CID 22905766

IUPAC1-phenylmethoxy-3-phenylsulfanylpropan-2-one
SMILESO=C(COCc1ccccc1)CSc1ccccc1
InChIInChI=1S/C16H16O2S/c17-15(13-19-16-9-5-2-6-10-16)12-18-11-14-7-3-1-4-8-14/h1-10H,11-13H2
InChIKeyKORNKXVYLQTKKM-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.56
Rot. Bonds7

About 1-phenylmethoxy-3-phenylsulfanylpropan-2-one

1-phenylmethoxy-3-phenylsulfanylpropan-2-one (PubChem CID 22905766) has the molecular formula C16H16O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-phenylmethoxy-3-phenylsulfanylpropan-2-one.

Molecular Properties

Compound Name1-phenylmethoxy-3-phenylsulfanylpropan-2-one
PubChem CID22905766
Molecular FormulaC16H16O2S
Molecular Weight272.37 g/mol
Exact Mass272.09
IUPAC Name1-phenylmethoxy-3-phenylsulfanylpropan-2-one
SMILESO=C(COCc1ccccc1)CSc1ccccc1
InChIInChI=1S/C16H16O2S/c17-15(13-19-16-9-5-2-6-10-16)12-18-11-14-7-3-1-4-8-14/h1-10H,11-13H2
InChIKeyKORNKXVYLQTKKM-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-3-phenylsulfanylpropan-2-one?
The IUPAC name of 1-phenylmethoxy-3-phenylsulfanylpropan-2-one (CID 22905766) is 1-phenylmethoxy-3-phenylsulfanylpropan-2-one.
What is the SMILES notation for 1-phenylmethoxy-3-phenylsulfanylpropan-2-one?
The canonical SMILES for 1-phenylmethoxy-3-phenylsulfanylpropan-2-one is O=C(COCc1ccccc1)CSc1ccccc1.
What is the InChIKey of 1-phenylmethoxy-3-phenylsulfanylpropan-2-one?
The InChIKey is KORNKXVYLQTKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S/c17-15(13-19-16-9-5-2-6-10-16)12-18-11-14-7-3-1-4-8-14/h1-10H,11-13H2.
What are the key properties of 1-phenylmethoxy-3-phenylsulfanylpropan-2-one?
1-phenylmethoxy-3-phenylsulfanylpropan-2-one has a molecular weight of 272.37 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-3-phenylsulfanylpropan-2-one is sourced from PubChem (CID 22905766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).