7-(benzenesulfinyl)-2,3-dihydrochromen-4-one

C15H12O3S — CID 143248241

IUPAC7-(benzenesulfinyl)-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2cc(S(=O)c3ccccc3)ccc21
InChIInChI=1S/C15H12O3S/c16-14-8-9-18-15-10-12(6-7-13(14)15)19(17)11-4-2-1-3-5-11/h1-7,10H,8-9H2
InChIKeyFCJSSORQVUSHBN-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.82
Rot. Bonds2

About 7-(benzenesulfinyl)-2,3-dihydrochromen-4-one

7-(benzenesulfinyl)-2,3-dihydrochromen-4-one (PubChem CID 143248241) has the molecular formula C15H12O3S and a molecular weight of 272.32 g/mol. Its IUPAC name is 7-(benzenesulfinyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-(benzenesulfinyl)-2,3-dihydrochromen-4-one
PubChem CID143248241
Molecular FormulaC15H12O3S
Molecular Weight272.32 g/mol
Exact Mass272.05
IUPAC Name7-(benzenesulfinyl)-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2cc(S(=O)c3ccccc3)ccc21
InChIInChI=1S/C15H12O3S/c16-14-8-9-18-15-10-12(6-7-13(14)15)19(17)11-4-2-1-3-5-11/h1-7,10H,8-9H2
InChIKeyFCJSSORQVUSHBN-UHFFFAOYSA-N
XLogP2.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfinyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 7-(benzenesulfinyl)-2,3-dihydrochromen-4-one (CID 143248241) is 7-(benzenesulfinyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-(benzenesulfinyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-(benzenesulfinyl)-2,3-dihydrochromen-4-one is O=C1CCOc2cc(S(=O)c3ccccc3)ccc21.
What is the InChIKey of 7-(benzenesulfinyl)-2,3-dihydrochromen-4-one?
The InChIKey is FCJSSORQVUSHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3S/c16-14-8-9-18-15-10-12(6-7-13(14)15)19(17)11-4-2-1-3-5-11/h1-7,10H,8-9H2.
What are the key properties of 7-(benzenesulfinyl)-2,3-dihydrochromen-4-one?
7-(benzenesulfinyl)-2,3-dihydrochromen-4-one has a molecular weight of 272.32 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfinyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 143248241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).