5-hydroxy-2-phenylthiochromen-4-one

C15H10O2S — CID 10682367

IUPAC5-hydroxy-2-phenylthiochromen-4-one
SMILESO=c1cc(-c2ccccc2)sc2cccc(O)c12
InChIInChI=1S/C15H10O2S/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10/h1-9,16H
InChIKeyZXQWYAPWKRHDQV-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.63
Rot. Bonds1

About 5-hydroxy-2-phenylthiochromen-4-one

5-hydroxy-2-phenylthiochromen-4-one (PubChem CID 10682367) has the molecular formula C15H10O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 5-hydroxy-2-phenylthiochromen-4-one.

Molecular Properties

Compound Name5-hydroxy-2-phenylthiochromen-4-one
PubChem CID10682367
Molecular FormulaC15H10O2S
Molecular Weight254.31 g/mol
Exact Mass254.04
IUPAC Name5-hydroxy-2-phenylthiochromen-4-one
SMILESO=c1cc(-c2ccccc2)sc2cccc(O)c12
InChIInChI=1S/C15H10O2S/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10/h1-9,16H
InChIKeyZXQWYAPWKRHDQV-UHFFFAOYSA-N
XLogP3.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-phenylthiochromen-4-one?
The IUPAC name of 5-hydroxy-2-phenylthiochromen-4-one (CID 10682367) is 5-hydroxy-2-phenylthiochromen-4-one.
What is the SMILES notation for 5-hydroxy-2-phenylthiochromen-4-one?
The canonical SMILES for 5-hydroxy-2-phenylthiochromen-4-one is O=c1cc(-c2ccccc2)sc2cccc(O)c12.
What is the InChIKey of 5-hydroxy-2-phenylthiochromen-4-one?
The InChIKey is ZXQWYAPWKRHDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2S/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10/h1-9,16H.
What are the key properties of 5-hydroxy-2-phenylthiochromen-4-one?
5-hydroxy-2-phenylthiochromen-4-one has a molecular weight of 254.31 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-phenylthiochromen-4-one is sourced from PubChem (CID 10682367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).