5-(4-chlorophenyl)-3-methylthiophene-2-carbaldehyde

C12H9ClOS — CID 58387757

IUPAC5-(4-chlorophenyl)-3-methylthiophene-2-carbaldehyde
SMILESCc1cc(-c2ccc(Cl)cc2)sc1C=O
InChIInChI=1S/C12H9ClOS/c1-8-6-11(15-12(8)7-14)9-2-4-10(13)5-3-9/h2-7H,1H3
InChIKeyLVPXMRPVQYEMAK-UHFFFAOYSA-N
MW236.72 g/mol
LogP4.19
Rot. Bonds2

About 5-(4-chlorophenyl)-3-methylthiophene-2-carbaldehyde

5-(4-chlorophenyl)-3-methylthiophene-2-carbaldehyde (PubChem CID 58387757) has the molecular formula C12H9ClOS and a molecular weight of 236.72 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-methylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-methylthiophene-2-carbaldehyde
PubChem CID58387757
Molecular FormulaC12H9ClOS
Molecular Weight236.72 g/mol
Exact Mass236.01
IUPAC Name5-(4-chlorophenyl)-3-methylthiophene-2-carbaldehyde
SMILESCc1cc(-c2ccc(Cl)cc2)sc1C=O
InChIInChI=1S/C12H9ClOS/c1-8-6-11(15-12(8)7-14)9-2-4-10(13)5-3-9/h2-7H,1H3
InChIKeyLVPXMRPVQYEMAK-UHFFFAOYSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-methylthiophene-2-carbaldehyde?
The IUPAC name of 5-(4-chlorophenyl)-3-methylthiophene-2-carbaldehyde (CID 58387757) is 5-(4-chlorophenyl)-3-methylthiophene-2-carbaldehyde.
What is the SMILES notation for 5-(4-chlorophenyl)-3-methylthiophene-2-carbaldehyde?
The canonical SMILES for 5-(4-chlorophenyl)-3-methylthiophene-2-carbaldehyde is Cc1cc(-c2ccc(Cl)cc2)sc1C=O.
What is the InChIKey of 5-(4-chlorophenyl)-3-methylthiophene-2-carbaldehyde?
The InChIKey is LVPXMRPVQYEMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClOS/c1-8-6-11(15-12(8)7-14)9-2-4-10(13)5-3-9/h2-7H,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-methylthiophene-2-carbaldehyde?
5-(4-chlorophenyl)-3-methylthiophene-2-carbaldehyde has a molecular weight of 236.72 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-methylthiophene-2-carbaldehyde is sourced from PubChem (CID 58387757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).