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

C21H15NO3S — CID 11164320

IUPAC7-hydroxy-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one
SMILESO=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(O)ccc12
InChIInChI=1S/C21H15NO3S/c23-16-6-7-17-18(12-16)25-21(26-13-14-8-10-22-11-9-14)19(20(17)24)15-4-2-1-3-5-15/h1-12,23H,13H2
InChIKeyYGXSOGQPINBRFJ-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.85
Rot. Bonds4

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

7-hydroxy-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one (PubChem CID 11164320) has the molecular formula C21H15NO3S and a molecular weight of 361.42 g/mol. Its IUPAC name is 7-hydroxy-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one
PubChem CID11164320
Molecular FormulaC21H15NO3S
Molecular Weight361.42 g/mol
Exact Mass361.08
IUPAC Name7-hydroxy-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one
SMILESO=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(O)ccc12
InChIInChI=1S/C21H15NO3S/c23-16-6-7-17-18(12-16)25-21(26-13-14-8-10-22-11-9-14)19(20(17)24)15-4-2-1-3-5-15/h1-12,23H,13H2
InChIKeyYGXSOGQPINBRFJ-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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Related Compounds

7-(benzyloxy)-3-phenyl-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 10026826
7-hydroxy-3-(4-methoxyphenyl)-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 10069029
7-hydroxy-3-(4-hydroxyphenyl)-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 10317448
7-Methoxy-3-phenyl-2-[(4-pyridylmethyl)thio]-4H-1-benzopyran-4-one
CID 11153057
7-Methoxy-3-phenyl-2-[(3-pyridylmethyl)thio]-4h-1-benzopyran-4-one
CID 11164739
7-methoxy-3-(4-methylphenyl)-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 11176755
3-(4-Methoxyphenyl)-7-(phenylmethoxy)-2-[(4-pyridylmethyl)thio]4H-1-benzopyran-4-one
CID 11179136
7-methoxy-3-(4-methoxyphenyl)-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 11246736
7-Hydroxy-3-phenyl-2-[(3-pyridylmethyl)thio]-4h-1-benzopyran-4-one
CID 11417114
1-(2,4-Dimethoxyphenyl)-3-(3-pyridinyl)-2-propen-1-one
CID 5720628
Dilmefone
CID 6445006
3-Phenyl-7-(4-fluorophenylmethoxy)-2-[(4-pyridylmethyl)thio]-4H-1-benzopyran-4-one
CID 23644948

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one?
The IUPAC name of 7-hydroxy-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one (CID 11164320) is 7-hydroxy-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one?
The canonical SMILES for 7-hydroxy-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one is O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(O)ccc12.
What is the InChIKey of 7-hydroxy-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one?
The InChIKey is YGXSOGQPINBRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3S/c23-16-6-7-17-18(12-16)25-21(26-13-14-8-10-22-11-9-14)19(20(17)24)15-4-2-1-3-5-15/h1-12,23H,13H2.
What are the key properties of 7-hydroxy-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one?
7-hydroxy-3-phenyl-2-(pyridin-4-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-4-ylmethylsulfanyl)chromen-4-one is sourced from PubChem (CID 11164320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).