2-chloro-4-ethylbenzaldehyde

C9H9ClO — CID 14687915

IUPAC2-chloro-4-ethylbenzaldehyde
SMILESCCc1ccc(C=O)c(Cl)c1
InChIInChI=1S/C9H9ClO/c1-2-7-3-4-8(6-11)9(10)5-7/h3-6H,2H2,1H3
InChIKeyVMYADOVIXHIGIX-UHFFFAOYSA-N
MW168.62 g/mol
LogP2.71
Rot. Bonds2

About 2-chloro-4-ethylbenzaldehyde

2-chloro-4-ethylbenzaldehyde (PubChem CID 14687915) has the molecular formula C9H9ClO and a molecular weight of 168.62 g/mol. Its IUPAC name is 2-chloro-4-ethylbenzaldehyde.

Molecular Properties

Compound Name2-chloro-4-ethylbenzaldehyde
PubChem CID14687915
Molecular FormulaC9H9ClO
Molecular Weight168.62 g/mol
Exact Mass168.03
IUPAC Name2-chloro-4-ethylbenzaldehyde
SMILESCCc1ccc(C=O)c(Cl)c1
InChIInChI=1S/C9H9ClO/c1-2-7-3-4-8(6-11)9(10)5-7/h3-6H,2H2,1H3
InChIKeyVMYADOVIXHIGIX-UHFFFAOYSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.62
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-chloro-4-ethylbenzaldehyde?
The IUPAC name of 2-chloro-4-ethylbenzaldehyde (CID 14687915) is 2-chloro-4-ethylbenzaldehyde.
What is the SMILES notation for 2-chloro-4-ethylbenzaldehyde?
The canonical SMILES for 2-chloro-4-ethylbenzaldehyde is CCc1ccc(C=O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-ethylbenzaldehyde?
The InChIKey is VMYADOVIXHIGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO/c1-2-7-3-4-8(6-11)9(10)5-7/h3-6H,2H2,1H3.
What are the key properties of 2-chloro-4-ethylbenzaldehyde?
2-chloro-4-ethylbenzaldehyde has a molecular weight of 168.62 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethylbenzaldehyde is sourced from PubChem (CID 14687915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).