2-(3-thiophen-2-ylphenyl)chromen-4-one

C19H12O2S — CID 91111580

IUPAC2-(3-thiophen-2-ylphenyl)chromen-4-one
SMILESO=c1cc(-c2cccc(-c3cccs3)c2)oc2ccccc12
InChIInChI=1S/C19H12O2S/c20-16-12-18(21-17-8-2-1-7-15(16)17)13-5-3-6-14(11-13)19-9-4-10-22-19/h1-12H
InChIKeyIIFIDIITRFSWQP-UHFFFAOYSA-N
MW304.37 g/mol
LogP5.19
Rot. Bonds2

About 2-(3-thiophen-2-ylphenyl)chromen-4-one

2-(3-thiophen-2-ylphenyl)chromen-4-one (PubChem CID 91111580) has the molecular formula C19H12O2S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-(3-thiophen-2-ylphenyl)chromen-4-one.

Molecular Properties

Compound Name2-(3-thiophen-2-ylphenyl)chromen-4-one
PubChem CID91111580
Molecular FormulaC19H12O2S
Molecular Weight304.37 g/mol
Exact Mass304.06
IUPAC Name2-(3-thiophen-2-ylphenyl)chromen-4-one
SMILESO=c1cc(-c2cccc(-c3cccs3)c2)oc2ccccc12
InChIInChI=1S/C19H12O2S/c20-16-12-18(21-17-8-2-1-7-15(16)17)13-5-3-6-14(11-13)19-9-4-10-22-19/h1-12H
InChIKeyIIFIDIITRFSWQP-UHFFFAOYSA-N
XLogP5.19
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.37
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenylchromen-4-one
CID 90124083
copper;2-phenylchromen-4-one
CID 175169427
CID 159796273
CID 159796273
2-(3,5-ditert-butyl-4-hydroxyphenyl)chromen-4-one
CID 10521834
2-(4-nitrophenyl)chromen-4-one
CID 622510
2-[3-[(E)-methoxyiminomethyl]phenyl]chromen-4-one
CID 11119445
2-(3-amino-4-hydroxyphenyl)chromen-4-one
CID 10422373
2-(3,4-dimethoxyphenyl)chromen-4-one
CID 158873505
2-phenyl-6-thiophen-2-ylpyran-4-one
CID 10610960
2-dibenzofuran-1-ylchromen-4-one
CID 168888509
2-[3-[2-(dimethylamino)ethoxy]phenyl]chromen-4-one
CID 59086251
2-(3-hydroxy-4-propan-2-ylphenyl)chromen-4-one
CID 170553002

Frequently Asked Questions

What is the IUPAC name of 2-(3-thiophen-2-ylphenyl)chromen-4-one?
The IUPAC name of 2-(3-thiophen-2-ylphenyl)chromen-4-one (CID 91111580) is 2-(3-thiophen-2-ylphenyl)chromen-4-one.
What is the SMILES notation for 2-(3-thiophen-2-ylphenyl)chromen-4-one?
The canonical SMILES for 2-(3-thiophen-2-ylphenyl)chromen-4-one is O=c1cc(-c2cccc(-c3cccs3)c2)oc2ccccc12.
What is the InChIKey of 2-(3-thiophen-2-ylphenyl)chromen-4-one?
The InChIKey is IIFIDIITRFSWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O2S/c20-16-12-18(21-17-8-2-1-7-15(16)17)13-5-3-6-14(11-13)19-9-4-10-22-19/h1-12H.
What are the key properties of 2-(3-thiophen-2-ylphenyl)chromen-4-one?
2-(3-thiophen-2-ylphenyl)chromen-4-one has a molecular weight of 304.37 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-thiophen-2-ylphenyl)chromen-4-one is sourced from PubChem (CID 91111580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).