2-(5,6-dichloro-3-oxo-1,2-dihydroinden-2-yl)acetaldehyde

C11H8Cl2O2 — CID 19036426

IUPAC2-(5,6-dichloro-3-oxo-1,2-dihydroinden-2-yl)acetaldehyde
SMILESO=CCC1Cc2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C11H8Cl2O2/c12-9-4-7-3-6(1-2-14)11(15)8(7)5-10(9)13/h2,4-6H,1,3H2
InChIKeyHBQISEVCEVBZCD-UHFFFAOYSA-N
MW243.09 g/mol
LogP2.94
Rot. Bonds2

About 2-(5,6-dichloro-3-oxo-1,2-dihydroinden-2-yl)acetaldehyde

2-(5,6-dichloro-3-oxo-1,2-dihydroinden-2-yl)acetaldehyde (PubChem CID 19036426) has the molecular formula C11H8Cl2O2 and a molecular weight of 243.09 g/mol. Its IUPAC name is 2-(5,6-dichloro-3-oxo-1,2-dihydroinden-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5,6-dichloro-3-oxo-1,2-dihydroinden-2-yl)acetaldehyde
PubChem CID19036426
Molecular FormulaC11H8Cl2O2
Molecular Weight243.09 g/mol
Exact Mass241.99
IUPAC Name2-(5,6-dichloro-3-oxo-1,2-dihydroinden-2-yl)acetaldehyde
SMILESO=CCC1Cc2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C11H8Cl2O2/c12-9-4-7-3-6(1-2-14)11(15)8(7)5-10(9)13/h2,4-6H,1,3H2
InChIKeyHBQISEVCEVBZCD-UHFFFAOYSA-N
XLogP2.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(5,6-dichloro-3-oxo-1,2-dihydroinden-2-yl)acetaldehyde?
The IUPAC name of 2-(5,6-dichloro-3-oxo-1,2-dihydroinden-2-yl)acetaldehyde (CID 19036426) is 2-(5,6-dichloro-3-oxo-1,2-dihydroinden-2-yl)acetaldehyde.
What is the SMILES notation for 2-(5,6-dichloro-3-oxo-1,2-dihydroinden-2-yl)acetaldehyde?
The canonical SMILES for 2-(5,6-dichloro-3-oxo-1,2-dihydroinden-2-yl)acetaldehyde is O=CCC1Cc2cc(Cl)c(Cl)cc2C1=O.
What is the InChIKey of 2-(5,6-dichloro-3-oxo-1,2-dihydroinden-2-yl)acetaldehyde?
The InChIKey is HBQISEVCEVBZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2O2/c12-9-4-7-3-6(1-2-14)11(15)8(7)5-10(9)13/h2,4-6H,1,3H2.
What are the key properties of 2-(5,6-dichloro-3-oxo-1,2-dihydroinden-2-yl)acetaldehyde?
2-(5,6-dichloro-3-oxo-1,2-dihydroinden-2-yl)acetaldehyde has a molecular weight of 243.09 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichloro-3-oxo-1,2-dihydroinden-2-yl)acetaldehyde is sourced from PubChem (CID 19036426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).