2,6-dichlorobenzaldehyde;4-methylbenzaldehyde

C15H12Cl2O2 — CID 19356894

IUPAC2,6-dichlorobenzaldehyde;4-methylbenzaldehyde
SMILESCc1ccc(C=O)cc1.O=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C8H8O.C7H4Cl2O/c1-7-2-4-8(6-9)5-3-7;8-6-2-1-3-7(9)5(6)4-10/h2-6H,1H3;1-4H
InChIKeyOKXFMAWKWXLCHR-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.61
Rot. Bonds2

About 2,6-dichlorobenzaldehyde;4-methylbenzaldehyde

2,6-dichlorobenzaldehyde;4-methylbenzaldehyde (PubChem CID 19356894) has the molecular formula C15H12Cl2O2 and a molecular weight of 295.17 g/mol. Its IUPAC name is 2,6-dichlorobenzaldehyde;4-methylbenzaldehyde.

Molecular Properties

Compound Name2,6-dichlorobenzaldehyde;4-methylbenzaldehyde
PubChem CID19356894
Molecular FormulaC15H12Cl2O2
Molecular Weight295.17 g/mol
Exact Mass294.02
IUPAC Name2,6-dichlorobenzaldehyde;4-methylbenzaldehyde
SMILESCc1ccc(C=O)cc1.O=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C8H8O.C7H4Cl2O/c1-7-2-4-8(6-9)5-3-7;8-6-2-1-3-7(9)5(6)4-10/h2-6H,1H3;1-4H
InChIKeyOKXFMAWKWXLCHR-UHFFFAOYSA-N
XLogP4.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.61
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 2,6-dichlorobenzaldehyde;4-methylbenzaldehyde?
The IUPAC name of 2,6-dichlorobenzaldehyde;4-methylbenzaldehyde (CID 19356894) is 2,6-dichlorobenzaldehyde;4-methylbenzaldehyde.
What is the SMILES notation for 2,6-dichlorobenzaldehyde;4-methylbenzaldehyde?
The canonical SMILES for 2,6-dichlorobenzaldehyde;4-methylbenzaldehyde is Cc1ccc(C=O)cc1.O=Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichlorobenzaldehyde;4-methylbenzaldehyde?
The InChIKey is OKXFMAWKWXLCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C7H4Cl2O/c1-7-2-4-8(6-9)5-3-7;8-6-2-1-3-7(9)5(6)4-10/h2-6H,1H3;1-4H.
What are the key properties of 2,6-dichlorobenzaldehyde;4-methylbenzaldehyde?
2,6-dichlorobenzaldehyde;4-methylbenzaldehyde has a molecular weight of 295.17 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichlorobenzaldehyde;4-methylbenzaldehyde is sourced from PubChem (CID 19356894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).