3-hydroxy-2-phenylthieno[2,3-h]chromen-4-one

C17H10O3S — CID 5274463

IUPAC3-hydroxy-2-phenylthieno[2,3-h]chromen-4-one
SMILESO=c1c(O)c(-c2ccccc2)oc2c1ccc1sccc12
InChIInChI=1S/C17H10O3S/c18-14-12-6-7-13-11(8-9-21-13)17(12)20-16(15(14)19)10-4-2-1-3-5-10/h1-9,19H
InChIKeyHOMNYOTZQYOGDK-UHFFFAOYSA-N
MW294.33 g/mol
LogP4.38
Rot. Bonds1

About 3-hydroxy-2-phenylthieno[2,3-h]chromen-4-one

3-hydroxy-2-phenylthieno[2,3-h]chromen-4-one (PubChem CID 5274463) has the molecular formula C17H10O3S and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-hydroxy-2-phenylthieno[2,3-h]chromen-4-one.

Molecular Properties

Compound Name3-hydroxy-2-phenylthieno[2,3-h]chromen-4-one
PubChem CID5274463
Molecular FormulaC17H10O3S
Molecular Weight294.33 g/mol
Exact Mass294.04
IUPAC Name3-hydroxy-2-phenylthieno[2,3-h]chromen-4-one
SMILESO=c1c(O)c(-c2ccccc2)oc2c1ccc1sccc12
InChIInChI=1S/C17H10O3S/c18-14-12-6-7-13-11(8-9-21-13)17(12)20-16(15(14)19)10-4-2-1-3-5-10/h1-9,19H
InChIKeyHOMNYOTZQYOGDK-UHFFFAOYSA-N
XLogP4.38
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-phenylthieno[2,3-h]chromen-4-one?
The IUPAC name of 3-hydroxy-2-phenylthieno[2,3-h]chromen-4-one (CID 5274463) is 3-hydroxy-2-phenylthieno[2,3-h]chromen-4-one.
What is the SMILES notation for 3-hydroxy-2-phenylthieno[2,3-h]chromen-4-one?
The canonical SMILES for 3-hydroxy-2-phenylthieno[2,3-h]chromen-4-one is O=c1c(O)c(-c2ccccc2)oc2c1ccc1sccc12.
What is the InChIKey of 3-hydroxy-2-phenylthieno[2,3-h]chromen-4-one?
The InChIKey is HOMNYOTZQYOGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O3S/c18-14-12-6-7-13-11(8-9-21-13)17(12)20-16(15(14)19)10-4-2-1-3-5-10/h1-9,19H.
What are the key properties of 3-hydroxy-2-phenylthieno[2,3-h]chromen-4-one?
3-hydroxy-2-phenylthieno[2,3-h]chromen-4-one has a molecular weight of 294.33 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-phenylthieno[2,3-h]chromen-4-one is sourced from PubChem (CID 5274463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).