2-hydroxy-3-thiophen-2-ylbenzaldehyde

C11H8O2S — CID 53220277

IUPAC2-hydroxy-3-thiophen-2-ylbenzaldehyde
SMILESO=Cc1cccc(-c2cccs2)c1O
InChIInChI=1S/C11H8O2S/c12-7-8-3-1-4-9(11(8)13)10-5-2-6-14-10/h1-7,13H
InChIKeyZWBKRXJDOWZZNR-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.93
Rot. Bonds2

About 2-hydroxy-3-thiophen-2-ylbenzaldehyde

2-hydroxy-3-thiophen-2-ylbenzaldehyde (PubChem CID 53220277) has the molecular formula C11H8O2S and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-hydroxy-3-thiophen-2-ylbenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3-thiophen-2-ylbenzaldehyde
PubChem CID53220277
Molecular FormulaC11H8O2S
Molecular Weight204.25 g/mol
Exact Mass204.02
IUPAC Name2-hydroxy-3-thiophen-2-ylbenzaldehyde
SMILESO=Cc1cccc(-c2cccs2)c1O
InChIInChI=1S/C11H8O2S/c12-7-8-3-1-4-9(11(8)13)10-5-2-6-14-10/h1-7,13H
InChIKeyZWBKRXJDOWZZNR-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-thiophen-2-ylbenzaldehyde?
The IUPAC name of 2-hydroxy-3-thiophen-2-ylbenzaldehyde (CID 53220277) is 2-hydroxy-3-thiophen-2-ylbenzaldehyde.
What is the SMILES notation for 2-hydroxy-3-thiophen-2-ylbenzaldehyde?
The canonical SMILES for 2-hydroxy-3-thiophen-2-ylbenzaldehyde is O=Cc1cccc(-c2cccs2)c1O.
What is the InChIKey of 2-hydroxy-3-thiophen-2-ylbenzaldehyde?
The InChIKey is ZWBKRXJDOWZZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2S/c12-7-8-3-1-4-9(11(8)13)10-5-2-6-14-10/h1-7,13H.
What are the key properties of 2-hydroxy-3-thiophen-2-ylbenzaldehyde?
2-hydroxy-3-thiophen-2-ylbenzaldehyde 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 2-hydroxy-3-thiophen-2-ylbenzaldehyde is sourced from PubChem (CID 53220277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).