2-(2,4-dichlorophenyl)acetaldehyde

C8H6Cl2O — CID 15948879

IUPAC2-(2,4-dichlorophenyl)acetaldehyde
SMILESO=CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2O/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,4-5H,3H2
InChIKeyMMJDYUOVXFOHQH-UHFFFAOYSA-N
MW189.04 g/mol
LogP2.73
Rot. Bonds2

About 2-(2,4-dichlorophenyl)acetaldehyde

2-(2,4-dichlorophenyl)acetaldehyde (PubChem CID 15948879) has the molecular formula C8H6Cl2O and a molecular weight of 189.04 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)acetaldehyde.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)acetaldehyde
PubChem CID15948879
Molecular FormulaC8H6Cl2O
Molecular Weight189.04 g/mol
Exact Mass187.98
IUPAC Name2-(2,4-dichlorophenyl)acetaldehyde
SMILESO=CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2O/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,4-5H,3H2
InChIKeyMMJDYUOVXFOHQH-UHFFFAOYSA-N
XLogP2.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.04
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-chlorophenyl)acetaldehyde
CID 87129897
2-(2,4-dichlorophenyl)ethanethial
CID 87622266
3-(2,4-dichlorophenyl)propanal;ethane
CID 143735610
1-but-2-enyl-2,4-dichlorobenzene
CID 70272980
2-(2-bromo-5-chlorophenyl)acetaldehyde
CID 66159966
2-(2-chloro-4-methoxyphenyl)acetaldehyde
CID 55274760
3-(2,4-dichlorophenyl)-2-methylpropanal
CID 91884147
N-[(2,4-dichlorophenyl)methyl]methanethioamide
CID 58279654
(2,4-dichlorophenyl)methylphosphane
CID 134447961
N-[(2,4-dichlorophenyl)methoxy]formamide
CID 19046665
2-(3-chloro-4-fluoro-2-hydroxyphenyl)acetaldehyde
CID 87309009
2-[2-chloro-4-(2,4-difluorophenoxy)phenyl]acetaldehyde
CID 141352961

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)acetaldehyde?
The IUPAC name of 2-(2,4-dichlorophenyl)acetaldehyde (CID 15948879) is 2-(2,4-dichlorophenyl)acetaldehyde.
What is the SMILES notation for 2-(2,4-dichlorophenyl)acetaldehyde?
The canonical SMILES for 2-(2,4-dichlorophenyl)acetaldehyde is O=CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)acetaldehyde?
The InChIKey is MMJDYUOVXFOHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,4-5H,3H2.
What are the key properties of 2-(2,4-dichlorophenyl)acetaldehyde?
2-(2,4-dichlorophenyl)acetaldehyde has a molecular weight of 189.04 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)acetaldehyde is sourced from PubChem (CID 15948879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).