2-phenyl-2,3-dihydro-1,4-benzoxathiine

C14H12OS — CID 10398900

IUPAC2-phenyl-2,3-dihydro-1,4-benzoxathiine
SMILESc1ccc(C2CSc3ccccc3O2)cc1
InChIInChI=1S/C14H12OS/c1-2-6-11(7-3-1)13-10-16-14-9-5-4-8-12(14)15-13/h1-9,13H,10H2
InChIKeyMKVSDJVRGDYNID-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.91
Rot. Bonds1

About 2-phenyl-2,3-dihydro-1,4-benzoxathiine

2-phenyl-2,3-dihydro-1,4-benzoxathiine (PubChem CID 10398900) has the molecular formula C14H12OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-phenyl-2,3-dihydro-1,4-benzoxathiine.

Molecular Properties

Compound Name2-phenyl-2,3-dihydro-1,4-benzoxathiine
PubChem CID10398900
Molecular FormulaC14H12OS
Molecular Weight228.32 g/mol
Exact Mass228.06
IUPAC Name2-phenyl-2,3-dihydro-1,4-benzoxathiine
SMILESc1ccc(C2CSc3ccccc3O2)cc1
InChIInChI=1S/C14H12OS/c1-2-6-11(7-3-1)13-10-16-14-9-5-4-8-12(14)15-13/h1-9,13H,10H2
InChIKeyMKVSDJVRGDYNID-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2,3-dihydro-1,4-benzoxathiine?
The IUPAC name of 2-phenyl-2,3-dihydro-1,4-benzoxathiine (CID 10398900) is 2-phenyl-2,3-dihydro-1,4-benzoxathiine.
What is the SMILES notation for 2-phenyl-2,3-dihydro-1,4-benzoxathiine?
The canonical SMILES for 2-phenyl-2,3-dihydro-1,4-benzoxathiine is c1ccc(C2CSc3ccccc3O2)cc1.
What is the InChIKey of 2-phenyl-2,3-dihydro-1,4-benzoxathiine?
The InChIKey is MKVSDJVRGDYNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12OS/c1-2-6-11(7-3-1)13-10-16-14-9-5-4-8-12(14)15-13/h1-9,13H,10H2.
What are the key properties of 2-phenyl-2,3-dihydro-1,4-benzoxathiine?
2-phenyl-2,3-dihydro-1,4-benzoxathiine has a molecular weight of 228.32 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2,3-dihydro-1,4-benzoxathiine is sourced from PubChem (CID 10398900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).