phenoxathiin-3-yl(phenyl)methanone

C19H12O2S — CID 10913736

IUPACphenoxathiin-3-yl(phenyl)methanone
SMILESO=C(c1ccccc1)c1ccc2c(c1)Oc1ccccc1S2
InChIInChI=1S/C19H12O2S/c20-19(13-6-2-1-3-7-13)14-10-11-18-16(12-14)21-15-8-4-5-9-17(15)22-18/h1-12H
InChIKeyQYSRZDHWQISLLT-UHFFFAOYSA-N
MW304.37 g/mol
LogP5.17
Rot. Bonds2

About phenoxathiin-3-yl(phenyl)methanone

phenoxathiin-3-yl(phenyl)methanone (PubChem CID 10913736) has the molecular formula C19H12O2S and a molecular weight of 304.37 g/mol. Its IUPAC name is phenoxathiin-3-yl(phenyl)methanone.

Molecular Properties

Compound Namephenoxathiin-3-yl(phenyl)methanone
PubChem CID10913736
Molecular FormulaC19H12O2S
Molecular Weight304.37 g/mol
Exact Mass304.06
IUPAC Namephenoxathiin-3-yl(phenyl)methanone
SMILESO=C(c1ccccc1)c1ccc2c(c1)Oc1ccccc1S2
InChIInChI=1S/C19H12O2S/c20-19(13-6-2-1-3-7-13)14-10-11-18-16(12-14)21-15-8-4-5-9-17(15)22-18/h1-12H
InChIKeyQYSRZDHWQISLLT-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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Related Compounds

2-Methoxythioxanthone
CID 617984
1-(3-Methoxyphenyl)-3-[4-(methylthio)phenyl]-2-propen-1-one
CID 5346051
4H-1-Benzothiopyran-4-one, 6-methoxy-2-phenyl-
CID 100772
3-Ethyl-phenoxathiine 10-oxide
CID 10752822
1-(8-Acetyl-10,10-dioxophenoxathiin-3-yl)ethanone
CID 10757764
1-(10,10-Dioxo-10H-10lambda*6*-phenoxathiin-1-yl)-ethanone
CID 10333539
1-(8-Acetylphenoxathiin-2-yl)ethanone
CID 467587
2-Acetylphenoxathiin
CID 515174
(R)-5-(4-methoxyphenyl)-3-(phenoxathiin-4-yl)cyclohex-2-enone
CID 42628141
1-Methoxy-4-propoxythioxanthen-9-one
CID 145954589
10,10-Dioxophenoxathiine-3-carboxylic acid
CID 10564378
3-Methylphenoxathiine 10-oxide
CID 10775816

Frequently Asked Questions

What is the IUPAC name of phenoxathiin-3-yl(phenyl)methanone?
The IUPAC name of phenoxathiin-3-yl(phenyl)methanone (CID 10913736) is phenoxathiin-3-yl(phenyl)methanone.
What is the SMILES notation for phenoxathiin-3-yl(phenyl)methanone?
The canonical SMILES for phenoxathiin-3-yl(phenyl)methanone is O=C(c1ccccc1)c1ccc2c(c1)Oc1ccccc1S2.
What is the InChIKey of phenoxathiin-3-yl(phenyl)methanone?
The InChIKey is QYSRZDHWQISLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O2S/c20-19(13-6-2-1-3-7-13)14-10-11-18-16(12-14)21-15-8-4-5-9-17(15)22-18/h1-12H.
What are the key properties of phenoxathiin-3-yl(phenyl)methanone?
phenoxathiin-3-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-3-yl(phenyl)methanone is sourced from PubChem (CID 10913736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).