4-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde

C11H9NO2S — CID 22596893

IUPAC4-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde
SMILESNc1ccc(O)c(-c2cscc2C=O)c1
InChIInChI=1S/C11H9NO2S/c12-8-1-2-11(14)9(3-8)10-6-15-5-7(10)4-13/h1-6,14H,12H2
InChIKeyFKVUAQVYAAQJDM-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.52
Rot. Bonds2

About 4-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde

4-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde (PubChem CID 22596893) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 4-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde.

Molecular Properties

Compound Name4-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde
PubChem CID22596893
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name4-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde
SMILESNc1ccc(O)c(-c2cscc2C=O)c1
InChIInChI=1S/C11H9NO2S/c12-8-1-2-11(14)9(3-8)10-6-15-5-7(10)4-13/h1-6,14H,12H2
InChIKeyFKVUAQVYAAQJDM-UHFFFAOYSA-N
XLogP2.52
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde?
The IUPAC name of 4-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde (CID 22596893) is 4-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde.
What is the SMILES notation for 4-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde?
The canonical SMILES for 4-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde is Nc1ccc(O)c(-c2cscc2C=O)c1.
What is the InChIKey of 4-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde?
The InChIKey is FKVUAQVYAAQJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c12-8-1-2-11(14)9(3-8)10-6-15-5-7(10)4-13/h1-6,14H,12H2.
What are the key properties of 4-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde?
4-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde has a molecular weight of 219.27 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde is sourced from PubChem (CID 22596893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).