4-[(2,4-dichlorophenyl)methoxy]benzaldehyde

C14H10Cl2O2 — CID 735453

IUPAC4-[(2,4-dichlorophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H10Cl2O2/c15-12-4-3-11(14(16)7-12)9-18-13-5-1-10(8-17)2-6-13/h1-8H,9H2
InChIKeyMCFMTPMHCQCPNT-UHFFFAOYSA-N
MW281.14 g/mol
LogP4.38
Rot. Bonds4

About 4-[(2,4-dichlorophenyl)methoxy]benzaldehyde

4-[(2,4-dichlorophenyl)methoxy]benzaldehyde (PubChem CID 735453) has the molecular formula C14H10Cl2O2 and a molecular weight of 281.14 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)methoxy]benzaldehyde
PubChem CID735453
Molecular FormulaC14H10Cl2O2
Molecular Weight281.14 g/mol
Exact Mass280.01
IUPAC Name4-[(2,4-dichlorophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H10Cl2O2/c15-12-4-3-11(14(16)7-12)9-18-13-5-1-10(8-17)2-6-13/h1-8H,9H2
InChIKeyMCFMTPMHCQCPNT-UHFFFAOYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 54.38
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-[(2,4-dichlorophenyl)methoxy]benzaldehyde?
The IUPAC name of 4-[(2,4-dichlorophenyl)methoxy]benzaldehyde (CID 735453) is 4-[(2,4-dichlorophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)methoxy]benzaldehyde?
The canonical SMILES for 4-[(2,4-dichlorophenyl)methoxy]benzaldehyde is O=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[(2,4-dichlorophenyl)methoxy]benzaldehyde?
The InChIKey is MCFMTPMHCQCPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O2/c15-12-4-3-11(14(16)7-12)9-18-13-5-1-10(8-17)2-6-13/h1-8H,9H2.
What are the key properties of 4-[(2,4-dichlorophenyl)methoxy]benzaldehyde?
4-[(2,4-dichlorophenyl)methoxy]benzaldehyde has a molecular weight of 281.14 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 735453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).