2,2-diphenyl-3,1-benzoxathiin-4-one

C20H14O2S — CID 12934421

IUPAC2,2-diphenyl-3,1-benzoxathiin-4-one
SMILESO=C1OC(c2ccccc2)(c2ccccc2)Sc2ccccc21
InChIInChI=1S/C20H14O2S/c21-19-17-13-7-8-14-18(17)23-20(22-19,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
InChIKeyUYCCMXVMWFJSCR-UHFFFAOYSA-N
MW318.40 g/mol
LogP4.85
Rot. Bonds2

About 2,2-diphenyl-3,1-benzoxathiin-4-one

2,2-diphenyl-3,1-benzoxathiin-4-one (PubChem CID 12934421) has the molecular formula C20H14O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2,2-diphenyl-3,1-benzoxathiin-4-one.

Molecular Properties

Compound Name2,2-diphenyl-3,1-benzoxathiin-4-one
PubChem CID12934421
Molecular FormulaC20H14O2S
Molecular Weight318.40 g/mol
Exact Mass318.07
IUPAC Name2,2-diphenyl-3,1-benzoxathiin-4-one
SMILESO=C1OC(c2ccccc2)(c2ccccc2)Sc2ccccc21
InChIInChI=1S/C20H14O2S/c21-19-17-13-7-8-14-18(17)23-20(22-19,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
InChIKeyUYCCMXVMWFJSCR-UHFFFAOYSA-N
XLogP4.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-3,1-benzoxathiin-4-one?
The IUPAC name of 2,2-diphenyl-3,1-benzoxathiin-4-one (CID 12934421) is 2,2-diphenyl-3,1-benzoxathiin-4-one.
What is the SMILES notation for 2,2-diphenyl-3,1-benzoxathiin-4-one?
The canonical SMILES for 2,2-diphenyl-3,1-benzoxathiin-4-one is O=C1OC(c2ccccc2)(c2ccccc2)Sc2ccccc21.
What is the InChIKey of 2,2-diphenyl-3,1-benzoxathiin-4-one?
The InChIKey is UYCCMXVMWFJSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2S/c21-19-17-13-7-8-14-18(17)23-20(22-19,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H.
What are the key properties of 2,2-diphenyl-3,1-benzoxathiin-4-one?
2,2-diphenyl-3,1-benzoxathiin-4-one has a molecular weight of 318.40 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-3,1-benzoxathiin-4-one is sourced from PubChem (CID 12934421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).