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

C11H8O2S — CID 121218693

IUPAC3-(2-hydroxyphenyl)thiophene-2-carbaldehyde
SMILESO=Cc1sccc1-c1ccccc1O
InChIInChI=1S/C11H8O2S/c12-7-11-9(5-6-14-11)8-3-1-2-4-10(8)13/h1-7,13H
InChIKeyGKCNOEBIUBXUDC-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.93
Rot. Bonds2

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

3-(2-hydroxyphenyl)thiophene-2-carbaldehyde (PubChem CID 121218693) has the molecular formula C11H8O2S and a molecular weight of 204.25 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)thiophene-2-carbaldehyde
PubChem CID121218693
Molecular FormulaC11H8O2S
Molecular Weight204.25 g/mol
Exact Mass204.02
IUPAC Name3-(2-hydroxyphenyl)thiophene-2-carbaldehyde
SMILESO=Cc1sccc1-c1ccccc1O
InChIInChI=1S/C11H8O2S/c12-7-11-9(5-6-14-11)8-3-1-2-4-10(8)13/h1-7,13H
InChIKeyGKCNOEBIUBXUDC-UHFFFAOYSA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-hydroxyphenyl)thiophene-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)thiophene-2-carbaldehyde?
The IUPAC name of 3-(2-hydroxyphenyl)thiophene-2-carbaldehyde (CID 121218693) is 3-(2-hydroxyphenyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 3-(2-hydroxyphenyl)thiophene-2-carbaldehyde?
The canonical SMILES for 3-(2-hydroxyphenyl)thiophene-2-carbaldehyde is O=Cc1sccc1-c1ccccc1O.
What is the InChIKey of 3-(2-hydroxyphenyl)thiophene-2-carbaldehyde?
The InChIKey is GKCNOEBIUBXUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2S/c12-7-11-9(5-6-14-11)8-3-1-2-4-10(8)13/h1-7,13H.
What are the key properties of 3-(2-hydroxyphenyl)thiophene-2-carbaldehyde?
3-(2-hydroxyphenyl)thiophene-2-carbaldehyde has a molecular weight of 204.25 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 121218693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).