7-hydroxy-3-phenyl-2-(pyridin-3-ylmethylsulfanyl)chromen-4-one

C21H15NO3S — CID 11417114

IUPAC7-hydroxy-3-phenyl-2-(pyridin-3-ylmethylsulfanyl)chromen-4-one
SMILESO=c1c(-c2ccccc2)c(SCc2cccnc2)oc2cc(O)ccc12
InChIInChI=1S/C21H15NO3S/c23-16-8-9-17-18(11-16)25-21(26-13-14-5-4-10-22-12-14)19(20(17)24)15-6-2-1-3-7-15/h1-12,23H,13H2
InChIKeyUMNZDARZMIOOHP-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.85
Rot. Bonds4

About 7-hydroxy-3-phenyl-2-(pyridin-3-ylmethylsulfanyl)chromen-4-one

7-hydroxy-3-phenyl-2-(pyridin-3-ylmethylsulfanyl)chromen-4-one (PubChem CID 11417114) has the molecular formula C21H15NO3S and a molecular weight of 361.42 g/mol. Its IUPAC name is 7-hydroxy-3-phenyl-2-(pyridin-3-ylmethylsulfanyl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-phenyl-2-(pyridin-3-ylmethylsulfanyl)chromen-4-one
PubChem CID11417114
Molecular FormulaC21H15NO3S
Molecular Weight361.42 g/mol
Exact Mass361.08
IUPAC Name7-hydroxy-3-phenyl-2-(pyridin-3-ylmethylsulfanyl)chromen-4-one
SMILESO=c1c(-c2ccccc2)c(SCc2cccnc2)oc2cc(O)ccc12
InChIInChI=1S/C21H15NO3S/c23-16-8-9-17-18(11-16)25-21(26-13-14-5-4-10-22-12-14)19(20(17)24)15-6-2-1-3-7-15/h1-12,23H,13H2
InChIKeyUMNZDARZMIOOHP-UHFFFAOYSA-N
XLogP4.85
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-phenyl-2-(pyridin-3-ylmethylsulfanyl)chromen-4-one?
The IUPAC name of 7-hydroxy-3-phenyl-2-(pyridin-3-ylmethylsulfanyl)chromen-4-one (CID 11417114) is 7-hydroxy-3-phenyl-2-(pyridin-3-ylmethylsulfanyl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-3-phenyl-2-(pyridin-3-ylmethylsulfanyl)chromen-4-one?
The canonical SMILES for 7-hydroxy-3-phenyl-2-(pyridin-3-ylmethylsulfanyl)chromen-4-one is O=c1c(-c2ccccc2)c(SCc2cccnc2)oc2cc(O)ccc12.
What is the InChIKey of 7-hydroxy-3-phenyl-2-(pyridin-3-ylmethylsulfanyl)chromen-4-one?
The InChIKey is UMNZDARZMIOOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3S/c23-16-8-9-17-18(11-16)25-21(26-13-14-5-4-10-22-12-14)19(20(17)24)15-6-2-1-3-7-15/h1-12,23H,13H2.
What are the key properties of 7-hydroxy-3-phenyl-2-(pyridin-3-ylmethylsulfanyl)chromen-4-one?
7-hydroxy-3-phenyl-2-(pyridin-3-ylmethylsulfanyl)chromen-4-one has a molecular weight of 361.42 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-phenyl-2-(pyridin-3-ylmethylsulfanyl)chromen-4-one is sourced from PubChem (CID 11417114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).