4-(3-formyl-2-hydroxyphenyl)thiophene-2-carbaldehyde

C12H8O3S — CID 53220367

IUPAC4-(3-formyl-2-hydroxyphenyl)thiophene-2-carbaldehyde
SMILESO=Cc1cc(-c2cccc(C=O)c2O)cs1
InChIInChI=1S/C12H8O3S/c13-5-8-2-1-3-11(12(8)15)9-4-10(6-14)16-7-9/h1-7,15H
InChIKeyRCBZFGMBWVDEJY-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.75
Rot. Bonds3

About 4-(3-formyl-2-hydroxyphenyl)thiophene-2-carbaldehyde

4-(3-formyl-2-hydroxyphenyl)thiophene-2-carbaldehyde (PubChem CID 53220367) has the molecular formula C12H8O3S and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-(3-formyl-2-hydroxyphenyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-(3-formyl-2-hydroxyphenyl)thiophene-2-carbaldehyde
PubChem CID53220367
Molecular FormulaC12H8O3S
Molecular Weight232.26 g/mol
Exact Mass232.02
IUPAC Name4-(3-formyl-2-hydroxyphenyl)thiophene-2-carbaldehyde
SMILESO=Cc1cc(-c2cccc(C=O)c2O)cs1
InChIInChI=1S/C12H8O3S/c13-5-8-2-1-3-11(12(8)15)9-4-10(6-14)16-7-9/h1-7,15H
InChIKeyRCBZFGMBWVDEJY-UHFFFAOYSA-N
XLogP2.75
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.75
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 4-(3-formyl-2-hydroxyphenyl)thiophene-2-carbaldehyde?
The IUPAC name of 4-(3-formyl-2-hydroxyphenyl)thiophene-2-carbaldehyde (CID 53220367) is 4-(3-formyl-2-hydroxyphenyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 4-(3-formyl-2-hydroxyphenyl)thiophene-2-carbaldehyde?
The canonical SMILES for 4-(3-formyl-2-hydroxyphenyl)thiophene-2-carbaldehyde is O=Cc1cc(-c2cccc(C=O)c2O)cs1.
What is the InChIKey of 4-(3-formyl-2-hydroxyphenyl)thiophene-2-carbaldehyde?
The InChIKey is RCBZFGMBWVDEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O3S/c13-5-8-2-1-3-11(12(8)15)9-4-10(6-14)16-7-9/h1-7,15H.
What are the key properties of 4-(3-formyl-2-hydroxyphenyl)thiophene-2-carbaldehyde?
4-(3-formyl-2-hydroxyphenyl)thiophene-2-carbaldehyde has a molecular weight of 232.26 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-formyl-2-hydroxyphenyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 53220367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).