2-(4-chlorophenyl)acetaldehyde

C8H7ClO — CID 11412502

IUPAC2-(4-chlorophenyl)acetaldehyde
SMILESO=CCc1ccc(Cl)cc1
InChIInChI=1S/C8H7ClO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,6H,5H2
InChIKeyMWSNYBOKRSGWAN-UHFFFAOYSA-N
MW154.60 g/mol
LogP2.08
Rot. Bonds2

About 2-(4-chlorophenyl)acetaldehyde

2-(4-chlorophenyl)acetaldehyde (PubChem CID 11412502) has the molecular formula C8H7ClO and a molecular weight of 154.60 g/mol. Its IUPAC name is 2-(4-chlorophenyl)acetaldehyde.

Molecular Properties

Compound Name2-(4-chlorophenyl)acetaldehyde
PubChem CID11412502
Molecular FormulaC8H7ClO
Molecular Weight154.60 g/mol
Exact Mass154.02
IUPAC Name2-(4-chlorophenyl)acetaldehyde
SMILESO=CCc1ccc(Cl)cc1
InChIInChI=1S/C8H7ClO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,6H,5H2
InChIKeyMWSNYBOKRSGWAN-UHFFFAOYSA-N
XLogP2.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.60
LogP ≤ 52.08
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-(4-chlorophenyl)acetaldehyde?
The IUPAC name of 2-(4-chlorophenyl)acetaldehyde (CID 11412502) is 2-(4-chlorophenyl)acetaldehyde.
What is the SMILES notation for 2-(4-chlorophenyl)acetaldehyde?
The canonical SMILES for 2-(4-chlorophenyl)acetaldehyde is O=CCc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)acetaldehyde?
The InChIKey is MWSNYBOKRSGWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,6H,5H2.
What are the key properties of 2-(4-chlorophenyl)acetaldehyde?
2-(4-chlorophenyl)acetaldehyde has a molecular weight of 154.60 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)acetaldehyde is sourced from PubChem (CID 11412502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).