2-phenyl-2-thiophen-2-yl-3H-chromen-4-one

C19H14O2S — CID 12753192

IUPAC2-phenyl-2-thiophen-2-yl-3H-chromen-4-one
SMILESO=C1CC(c2ccccc2)(c2cccs2)Oc2ccccc21
InChIInChI=1S/C19H14O2S/c20-16-13-19(18-11-6-12-22-18,14-7-2-1-3-8-14)21-17-10-5-4-9-15(16)17/h1-12H,13H2
InChIKeyMSJPODOSYXUTDX-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.66
Rot. Bonds2

About 2-phenyl-2-thiophen-2-yl-3H-chromen-4-one

2-phenyl-2-thiophen-2-yl-3H-chromen-4-one (PubChem CID 12753192) has the molecular formula C19H14O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-phenyl-2-thiophen-2-yl-3H-chromen-4-one.

Molecular Properties

Compound Name2-phenyl-2-thiophen-2-yl-3H-chromen-4-one
PubChem CID12753192
Molecular FormulaC19H14O2S
Molecular Weight306.39 g/mol
Exact Mass306.07
IUPAC Name2-phenyl-2-thiophen-2-yl-3H-chromen-4-one
SMILESO=C1CC(c2ccccc2)(c2cccs2)Oc2ccccc21
InChIInChI=1S/C19H14O2S/c20-16-13-19(18-11-6-12-22-18,14-7-2-1-3-8-14)21-17-10-5-4-9-15(16)17/h1-12H,13H2
InChIKeyMSJPODOSYXUTDX-UHFFFAOYSA-N
XLogP4.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-thiophen-2-yl-3H-chromen-4-one?
The IUPAC name of 2-phenyl-2-thiophen-2-yl-3H-chromen-4-one (CID 12753192) is 2-phenyl-2-thiophen-2-yl-3H-chromen-4-one.
What is the SMILES notation for 2-phenyl-2-thiophen-2-yl-3H-chromen-4-one?
The canonical SMILES for 2-phenyl-2-thiophen-2-yl-3H-chromen-4-one is O=C1CC(c2ccccc2)(c2cccs2)Oc2ccccc21.
What is the InChIKey of 2-phenyl-2-thiophen-2-yl-3H-chromen-4-one?
The InChIKey is MSJPODOSYXUTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O2S/c20-16-13-19(18-11-6-12-22-18,14-7-2-1-3-8-14)21-17-10-5-4-9-15(16)17/h1-12H,13H2.
What are the key properties of 2-phenyl-2-thiophen-2-yl-3H-chromen-4-one?
2-phenyl-2-thiophen-2-yl-3H-chromen-4-one has a molecular weight of 306.39 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-thiophen-2-yl-3H-chromen-4-one is sourced from PubChem (CID 12753192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).