4-(2-bromophenyl)sulfanyl-6-hydroxychromen-2-one

C15H9BrO3S — CID 102179849

IUPAC4-(2-bromophenyl)sulfanyl-6-hydroxychromen-2-one
SMILESO=c1cc(Sc2ccccc2Br)c2cc(O)ccc2o1
InChIInChI=1S/C15H9BrO3S/c16-11-3-1-2-4-13(11)20-14-8-15(18)19-12-6-5-9(17)7-10(12)14/h1-8,17H
InChIKeyXISYRNYKYJWQDH-UHFFFAOYSA-N
MW349.21 g/mol
LogP4.41
Rot. Bonds2

About 4-(2-bromophenyl)sulfanyl-6-hydroxychromen-2-one

4-(2-bromophenyl)sulfanyl-6-hydroxychromen-2-one (PubChem CID 102179849) has the molecular formula C15H9BrO3S and a molecular weight of 349.21 g/mol. Its IUPAC name is 4-(2-bromophenyl)sulfanyl-6-hydroxychromen-2-one.

Molecular Properties

Compound Name4-(2-bromophenyl)sulfanyl-6-hydroxychromen-2-one
PubChem CID102179849
Molecular FormulaC15H9BrO3S
Molecular Weight349.21 g/mol
Exact Mass347.95
IUPAC Name4-(2-bromophenyl)sulfanyl-6-hydroxychromen-2-one
SMILESO=c1cc(Sc2ccccc2Br)c2cc(O)ccc2o1
InChIInChI=1S/C15H9BrO3S/c16-11-3-1-2-4-13(11)20-14-8-15(18)19-12-6-5-9(17)7-10(12)14/h1-8,17H
InChIKeyXISYRNYKYJWQDH-UHFFFAOYSA-N
XLogP4.41
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4-(3-bromophenyl)sulfanyl-6-hydroxychromen-2-one
CID 102179850
4-(4,5-dihydroxy-2-methylphenyl)sulfanylchromen-2-one
CID 25128694
4-(2-hydroxyethylsulfanyl)chromen-2-one
CID 119082990
2-hydroxynaphtho[3,2-b][1]benzofuran-6,11-dione
CID 58171393
4-(1,3-benzoxazol-2-ylsulfanyl)chromen-2-one
CID 23962876
4-(4-hydroxyphenyl)chromen-2-one
CID 87209427
6-chloro-4-(2,6-dichlorophenyl)sulfanylchromen-2-one
CID 86186524
2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxychromen-4-one
CID 54016489
(1R)-1-[2-(2-bromophenyl)sulfanylphenyl]ethanamine
CID 78938611
4-amino-7-hydroxychromen-2-one
CID 5403605
4-(bromomethyl)-7-hydroxychromen-2-one
CID 5465897
2,3,7-trihydroxyxanthen-9-one
CID 14528805

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)sulfanyl-6-hydroxychromen-2-one?
The IUPAC name of 4-(2-bromophenyl)sulfanyl-6-hydroxychromen-2-one (CID 102179849) is 4-(2-bromophenyl)sulfanyl-6-hydroxychromen-2-one.
What is the SMILES notation for 4-(2-bromophenyl)sulfanyl-6-hydroxychromen-2-one?
The canonical SMILES for 4-(2-bromophenyl)sulfanyl-6-hydroxychromen-2-one is O=c1cc(Sc2ccccc2Br)c2cc(O)ccc2o1.
What is the InChIKey of 4-(2-bromophenyl)sulfanyl-6-hydroxychromen-2-one?
The InChIKey is XISYRNYKYJWQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrO3S/c16-11-3-1-2-4-13(11)20-14-8-15(18)19-12-6-5-9(17)7-10(12)14/h1-8,17H.
What are the key properties of 4-(2-bromophenyl)sulfanyl-6-hydroxychromen-2-one?
4-(2-bromophenyl)sulfanyl-6-hydroxychromen-2-one has a molecular weight of 349.21 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)sulfanyl-6-hydroxychromen-2-one is sourced from PubChem (CID 102179849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).