3-(4-chlorophenyl)thiophene-2-carbaldehyde

C11H7ClOS — CID 82392097

IUPAC3-(4-chlorophenyl)thiophene-2-carbaldehyde
SMILESO=Cc1sccc1-c1ccc(Cl)cc1
InChIInChI=1S/C11H7ClOS/c12-9-3-1-8(2-4-9)10-5-6-14-11(10)7-13/h1-7H
InChIKeyUFAAJIYLVHUDFG-UHFFFAOYSA-N
MW222.70 g/mol
LogP3.88
Rot. Bonds2

About 3-(4-chlorophenyl)thiophene-2-carbaldehyde

3-(4-chlorophenyl)thiophene-2-carbaldehyde (PubChem CID 82392097) has the molecular formula C11H7ClOS and a molecular weight of 222.70 g/mol. Its IUPAC name is 3-(4-chlorophenyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-(4-chlorophenyl)thiophene-2-carbaldehyde
PubChem CID82392097
Molecular FormulaC11H7ClOS
Molecular Weight222.70 g/mol
Exact Mass221.99
IUPAC Name3-(4-chlorophenyl)thiophene-2-carbaldehyde
SMILESO=Cc1sccc1-c1ccc(Cl)cc1
InChIInChI=1S/C11H7ClOS/c12-9-3-1-8(2-4-9)10-5-6-14-11(10)7-13/h1-7H
InChIKeyUFAAJIYLVHUDFG-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.70
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Phenylthiophene-2-carbaldehyde
CID 177053
4-(Thiophen-2-yl)benzaldehyde
CID 736499
5-(4-Chlorophenyl)thiophene-2-carbaldehyde
CID 2763585
3-Chloro-1-benzothiophene-2-carbaldehyde
CID 818121
1-(5-(4-Chlorophenyl)-2-thienyl)ethanone
CID 2763587
3-Phenyl-2-thiophenecarboxaldehyde
CID 818847
2-(Thiophen-2-yl)benzaldehyde
CID 2795558
2-(3-Thienyl)benzaldehyde
CID 4321315
2-(4-Chlorophenyl)benzo[b]thiophene-3-carbaldehyde
CID 11623195
4-Phenylthiophene-2-carbaldehyde
CID 5009467
5-Phenylthiophene-3-carbaldehyde
CID 12941344
(4-Chlorophenyl)(thiophen-3-yl)methanone
CID 15812442

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)thiophene-2-carbaldehyde?
The IUPAC name of 3-(4-chlorophenyl)thiophene-2-carbaldehyde (CID 82392097) is 3-(4-chlorophenyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 3-(4-chlorophenyl)thiophene-2-carbaldehyde?
The canonical SMILES for 3-(4-chlorophenyl)thiophene-2-carbaldehyde is O=Cc1sccc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)thiophene-2-carbaldehyde?
The InChIKey is UFAAJIYLVHUDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClOS/c12-9-3-1-8(2-4-9)10-5-6-14-11(10)7-13/h1-7H.
What are the key properties of 3-(4-chlorophenyl)thiophene-2-carbaldehyde?
3-(4-chlorophenyl)thiophene-2-carbaldehyde has a molecular weight of 222.70 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 82392097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).