2-chloro-4-(2-methylthiophen-3-yl)benzaldehyde

C12H9ClOS — CID 102834329

IUPAC2-chloro-4-(2-methylthiophen-3-yl)benzaldehyde
SMILESCc1sccc1-c1ccc(C=O)c(Cl)c1
InChIInChI=1S/C12H9ClOS/c1-8-11(4-5-15-8)9-2-3-10(7-14)12(13)6-9/h2-7H,1H3
InChIKeyVGMIKSJXKWJHII-UHFFFAOYSA-N
MW236.72 g/mol
LogP4.19
Rot. Bonds2

About 2-chloro-4-(2-methylthiophen-3-yl)benzaldehyde

2-chloro-4-(2-methylthiophen-3-yl)benzaldehyde (PubChem CID 102834329) has the molecular formula C12H9ClOS and a molecular weight of 236.72 g/mol. Its IUPAC name is 2-chloro-4-(2-methylthiophen-3-yl)benzaldehyde.

Molecular Properties

Compound Name2-chloro-4-(2-methylthiophen-3-yl)benzaldehyde
PubChem CID102834329
Molecular FormulaC12H9ClOS
Molecular Weight236.72 g/mol
Exact Mass236.01
IUPAC Name2-chloro-4-(2-methylthiophen-3-yl)benzaldehyde
SMILESCc1sccc1-c1ccc(C=O)c(Cl)c1
InChIInChI=1S/C12H9ClOS/c1-8-11(4-5-15-8)9-2-3-10(7-14)12(13)6-9/h2-7H,1H3
InChIKeyVGMIKSJXKWJHII-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-fluoro-4-(2-methylthiophen-3-yl)benzaldehyde
CID 102834299
2-chloro-4-(2-propan-2-ylphenyl)benzaldehyde
CID 175663828
2-(3-chlorothiophen-2-yl)-4-methylbenzaldehyde
CID 107360550
5-(2-chlorothiophen-3-yl)-2-fluorobenzaldehyde
CID 130698823
2-(3-chloro-4-methylphenyl)benzaldehyde
CID 115504091
N-[1-[2-chloro-4-(2-methylthiophen-3-yl)phenyl]ethyl]propan-1-amine
CID 102834411
4-(4-bromo-3-chloro-2-fluorophenyl)-2-chlorobenzaldehyde
CID 106763198
3-(2-chlorophenyl)-2-methylthiophene
CID 18933115
2-chloro-4-(3-fluoro-4-hydroxyphenyl)benzaldehyde
CID 58978553
2-chloro-4-(3,5-difluoro-4-hydroxyphenyl)benzaldehyde
CID 58978552
2-chloro-4-ethylbenzaldehyde
CID 14687915
5-(3-chlorothiophen-2-yl)-2-methoxybenzaldehyde
CID 107360530

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylthiophen-3-yl)benzaldehyde?
The IUPAC name of 2-chloro-4-(2-methylthiophen-3-yl)benzaldehyde (CID 102834329) is 2-chloro-4-(2-methylthiophen-3-yl)benzaldehyde.
What is the SMILES notation for 2-chloro-4-(2-methylthiophen-3-yl)benzaldehyde?
The canonical SMILES for 2-chloro-4-(2-methylthiophen-3-yl)benzaldehyde is Cc1sccc1-c1ccc(C=O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(2-methylthiophen-3-yl)benzaldehyde?
The InChIKey is VGMIKSJXKWJHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClOS/c1-8-11(4-5-15-8)9-2-3-10(7-14)12(13)6-9/h2-7H,1H3.
What are the key properties of 2-chloro-4-(2-methylthiophen-3-yl)benzaldehyde?
2-chloro-4-(2-methylthiophen-3-yl)benzaldehyde 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-chloro-4-(2-methylthiophen-3-yl)benzaldehyde is sourced from PubChem (CID 102834329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).