2-(3-chlorothiophen-2-yl)-4-methylbenzaldehyde

C12H9ClOS — CID 107360550

IUPAC2-(3-chlorothiophen-2-yl)-4-methylbenzaldehyde
SMILESCc1ccc(C=O)c(-c2sccc2Cl)c1
InChIInChI=1S/C12H9ClOS/c1-8-2-3-9(7-14)10(6-8)12-11(13)4-5-15-12/h2-7H,1H3
InChIKeyYXMITFNKHCQANC-UHFFFAOYSA-N
MW236.72 g/mol
LogP4.19
Rot. Bonds2

About 2-(3-chlorothiophen-2-yl)-4-methylbenzaldehyde

2-(3-chlorothiophen-2-yl)-4-methylbenzaldehyde (PubChem CID 107360550) has the molecular formula C12H9ClOS and a molecular weight of 236.72 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)-4-methylbenzaldehyde.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)-4-methylbenzaldehyde
PubChem CID107360550
Molecular FormulaC12H9ClOS
Molecular Weight236.72 g/mol
Exact Mass236.01
IUPAC Name2-(3-chlorothiophen-2-yl)-4-methylbenzaldehyde
SMILESCc1ccc(C=O)c(-c2sccc2Cl)c1
InChIInChI=1S/C12H9ClOS/c1-8-2-3-9(7-14)10(6-8)12-11(13)4-5-15-12/h2-7H,1H3
InChIKeyYXMITFNKHCQANC-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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Related Compounds

2-(2-chloro-4,5-difluorophenyl)-4-methylbenzaldehyde
CID 107476829
4-methyl-2-(1,2-thiazol-3-yl)benzaldehyde
CID 130604806
5-(3-chlorothiophen-2-yl)-2-methoxybenzaldehyde
CID 107360530
2-chloro-4-(2-methylthiophen-3-yl)benzaldehyde
CID 102834329
5-methyl-2-(1,3-thiazol-2-yl)benzaldehyde
CID 171617944
3-(3-chlorothiophen-2-yl)-5-methylaniline
CID 107579738
2-iodyl-4-methylbenzaldehyde
CID 172555476
4-methoxy-2-(4-methylthiophen-2-yl)benzaldehyde
CID 172650181
2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde
CID 139035215
2-(4-methoxy-3,5-dimethylphenyl)-4-methylbenzaldehyde
CID 83068040
2-(2-hydroxy-6-methylphenyl)-4-methylbenzaldehyde
CID 139758030
6-methyl-1-benzothiophene-3-carbaldehyde
CID 82374207

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)-4-methylbenzaldehyde?
The IUPAC name of 2-(3-chlorothiophen-2-yl)-4-methylbenzaldehyde (CID 107360550) is 2-(3-chlorothiophen-2-yl)-4-methylbenzaldehyde.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)-4-methylbenzaldehyde?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)-4-methylbenzaldehyde is Cc1ccc(C=O)c(-c2sccc2Cl)c1.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)-4-methylbenzaldehyde?
The InChIKey is YXMITFNKHCQANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClOS/c1-8-2-3-9(7-14)10(6-8)12-11(13)4-5-15-12/h2-7H,1H3.
What are the key properties of 2-(3-chlorothiophen-2-yl)-4-methylbenzaldehyde?
2-(3-chlorothiophen-2-yl)-4-methylbenzaldehyde 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 2-(3-chlorothiophen-2-yl)-4-methylbenzaldehyde is sourced from PubChem (CID 107360550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).