7-hydroxy-4H-thieno[3,2-c]chromene-8-carbaldehyde

C12H8O3S — CID 176920181

IUPAC7-hydroxy-4H-thieno[3,2-c]chromene-8-carbaldehyde
SMILESO=Cc1cc2c(cc1O)OCc1ccsc1-2
InChIInChI=1S/C12H8O3S/c13-5-8-3-9-11(4-10(8)14)15-6-7-1-2-16-12(7)9/h1-5,14H,6H2
InChIKeyRXSIICHMOKNISC-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.83
Rot. Bonds1

About 7-hydroxy-4H-thieno[3,2-c]chromene-8-carbaldehyde

7-hydroxy-4H-thieno[3,2-c]chromene-8-carbaldehyde (PubChem CID 176920181) has the molecular formula C12H8O3S and a molecular weight of 232.26 g/mol. Its IUPAC name is 7-hydroxy-4H-thieno[3,2-c]chromene-8-carbaldehyde.

Molecular Properties

Compound Name7-hydroxy-4H-thieno[3,2-c]chromene-8-carbaldehyde
PubChem CID176920181
Molecular FormulaC12H8O3S
Molecular Weight232.26 g/mol
Exact Mass232.02
IUPAC Name7-hydroxy-4H-thieno[3,2-c]chromene-8-carbaldehyde
SMILESO=Cc1cc2c(cc1O)OCc1ccsc1-2
InChIInChI=1S/C12H8O3S/c13-5-8-3-9-11(4-10(8)14)15-6-7-1-2-16-12(7)9/h1-5,14H,6H2
InChIKeyRXSIICHMOKNISC-UHFFFAOYSA-N
XLogP2.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4H-thieno[3,2-c]chromene-8-carbaldehyde?
The IUPAC name of 7-hydroxy-4H-thieno[3,2-c]chromene-8-carbaldehyde (CID 176920181) is 7-hydroxy-4H-thieno[3,2-c]chromene-8-carbaldehyde.
What is the SMILES notation for 7-hydroxy-4H-thieno[3,2-c]chromene-8-carbaldehyde?
The canonical SMILES for 7-hydroxy-4H-thieno[3,2-c]chromene-8-carbaldehyde is O=Cc1cc2c(cc1O)OCc1ccsc1-2.
What is the InChIKey of 7-hydroxy-4H-thieno[3,2-c]chromene-8-carbaldehyde?
The InChIKey is RXSIICHMOKNISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O3S/c13-5-8-3-9-11(4-10(8)14)15-6-7-1-2-16-12(7)9/h1-5,14H,6H2.
What are the key properties of 7-hydroxy-4H-thieno[3,2-c]chromene-8-carbaldehyde?
7-hydroxy-4H-thieno[3,2-c]chromene-8-carbaldehyde has a molecular weight of 232.26 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4H-thieno[3,2-c]chromene-8-carbaldehyde is sourced from PubChem (CID 176920181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).