phenoxathiin-2-yl(phenyl)methanone

C19H12O2S — CID 11001202

IUPACphenoxathiin-2-yl(phenyl)methanone
SMILESO=C(c1ccccc1)c1ccc2c(c1)Sc1ccccc1O2
InChIInChI=1S/C19H12O2S/c20-19(13-6-2-1-3-7-13)14-10-11-16-18(12-14)22-17-9-5-4-8-15(17)21-16/h1-12H
InChIKeyUGVIAMNKNKXJLM-UHFFFAOYSA-N
MW304.37 g/mol
LogP5.17
Rot. Bonds2

About phenoxathiin-2-yl(phenyl)methanone

phenoxathiin-2-yl(phenyl)methanone (PubChem CID 11001202) has the molecular formula C19H12O2S and a molecular weight of 304.37 g/mol. Its IUPAC name is phenoxathiin-2-yl(phenyl)methanone.

Molecular Properties

Compound Namephenoxathiin-2-yl(phenyl)methanone
PubChem CID11001202
Molecular FormulaC19H12O2S
Molecular Weight304.37 g/mol
Exact Mass304.06
IUPAC Namephenoxathiin-2-yl(phenyl)methanone
SMILESO=C(c1ccccc1)c1ccc2c(c1)Sc1ccccc1O2
InChIInChI=1S/C19H12O2S/c20-19(13-6-2-1-3-7-13)14-10-11-16-18(12-14)22-17-9-5-4-8-15(17)21-16/h1-12H
InChIKeyUGVIAMNKNKXJLM-UHFFFAOYSA-N
XLogP5.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.37
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenoxathiin-2-yl(phenyl)methanone?
The IUPAC name of phenoxathiin-2-yl(phenyl)methanone (CID 11001202) is phenoxathiin-2-yl(phenyl)methanone.
What is the SMILES notation for phenoxathiin-2-yl(phenyl)methanone?
The canonical SMILES for phenoxathiin-2-yl(phenyl)methanone is O=C(c1ccccc1)c1ccc2c(c1)Sc1ccccc1O2.
What is the InChIKey of phenoxathiin-2-yl(phenyl)methanone?
The InChIKey is UGVIAMNKNKXJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O2S/c20-19(13-6-2-1-3-7-13)14-10-11-16-18(12-14)22-17-9-5-4-8-15(17)21-16/h1-12H.
What are the key properties of phenoxathiin-2-yl(phenyl)methanone?
phenoxathiin-2-yl(phenyl)methanone has a molecular weight of 304.37 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxathiin-2-yl(phenyl)methanone is sourced from PubChem (CID 11001202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).