4-[(2-chlorophenyl)methoxy]benzaldehyde

C14H11ClO2 — CID 692382

IUPAC4-[(2-chlorophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C14H11ClO2/c15-14-4-2-1-3-12(14)10-17-13-7-5-11(9-16)6-8-13/h1-9H,10H2
InChIKeyGPKGSRNVJGFHKL-UHFFFAOYSA-N
MW246.69 g/mol
LogP3.73
Rot. Bonds4

About 4-[(2-chlorophenyl)methoxy]benzaldehyde

4-[(2-chlorophenyl)methoxy]benzaldehyde (PubChem CID 692382) has the molecular formula C14H11ClO2 and a molecular weight of 246.69 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]benzaldehyde
PubChem CID692382
Molecular FormulaC14H11ClO2
Molecular Weight246.69 g/mol
Exact Mass246.04
IUPAC Name4-[(2-chlorophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C14H11ClO2/c15-14-4-2-1-3-12(14)10-17-13-7-5-11(9-16)6-8-13/h1-9H,10H2
InChIKeyGPKGSRNVJGFHKL-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 53.73
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 4-[(2-chlorophenyl)methoxy]benzaldehyde?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]benzaldehyde (CID 692382) is 4-[(2-chlorophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]benzaldehyde?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]benzaldehyde is O=Cc1ccc(OCc2ccccc2Cl)cc1.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]benzaldehyde?
The InChIKey is GPKGSRNVJGFHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2/c15-14-4-2-1-3-12(14)10-17-13-7-5-11(9-16)6-8-13/h1-9H,10H2.
What are the key properties of 4-[(2-chlorophenyl)methoxy]benzaldehyde?
4-[(2-chlorophenyl)methoxy]benzaldehyde has a molecular weight of 246.69 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 692382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).