4-chloro-2-[chloro(phenyl)methyl]benzaldehyde

C14H10Cl2O — CID 86628629

IUPAC4-chloro-2-[chloro(phenyl)methyl]benzaldehyde
SMILESO=Cc1ccc(Cl)cc1C(Cl)c1ccccc1
InChIInChI=1S/C14H10Cl2O/c15-12-7-6-11(9-17)13(8-12)14(16)10-4-2-1-3-5-10/h1-9,14H
InChIKeyXYQGJQLNBOYIKS-UHFFFAOYSA-N
MW265.14 g/mol
LogP4.48
Rot. Bonds3

About 4-chloro-2-[chloro(phenyl)methyl]benzaldehyde

4-chloro-2-[chloro(phenyl)methyl]benzaldehyde (PubChem CID 86628629) has the molecular formula C14H10Cl2O and a molecular weight of 265.14 g/mol. Its IUPAC name is 4-chloro-2-[chloro(phenyl)methyl]benzaldehyde.

Molecular Properties

Compound Name4-chloro-2-[chloro(phenyl)methyl]benzaldehyde
PubChem CID86628629
Molecular FormulaC14H10Cl2O
Molecular Weight265.14 g/mol
Exact Mass264.01
IUPAC Name4-chloro-2-[chloro(phenyl)methyl]benzaldehyde
SMILESO=Cc1ccc(Cl)cc1C(Cl)c1ccccc1
InChIInChI=1S/C14H10Cl2O/c15-12-7-6-11(9-17)13(8-12)14(16)10-4-2-1-3-5-10/h1-9,14H
InChIKeyXYQGJQLNBOYIKS-UHFFFAOYSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[chloro(phenyl)methyl]benzaldehyde?
The IUPAC name of 4-chloro-2-[chloro(phenyl)methyl]benzaldehyde (CID 86628629) is 4-chloro-2-[chloro(phenyl)methyl]benzaldehyde.
What is the SMILES notation for 4-chloro-2-[chloro(phenyl)methyl]benzaldehyde?
The canonical SMILES for 4-chloro-2-[chloro(phenyl)methyl]benzaldehyde is O=Cc1ccc(Cl)cc1C(Cl)c1ccccc1.
What is the InChIKey of 4-chloro-2-[chloro(phenyl)methyl]benzaldehyde?
The InChIKey is XYQGJQLNBOYIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O/c15-12-7-6-11(9-17)13(8-12)14(16)10-4-2-1-3-5-10/h1-9,14H.
What are the key properties of 4-chloro-2-[chloro(phenyl)methyl]benzaldehyde?
4-chloro-2-[chloro(phenyl)methyl]benzaldehyde has a molecular weight of 265.14 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[chloro(phenyl)methyl]benzaldehyde is sourced from PubChem (CID 86628629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).