4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzaldehyde

C15H12Cl2O3 — CID 735462

IUPAC4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2O3/c1-19-15-6-10(8-18)2-5-14(15)20-9-11-3-4-12(16)7-13(11)17/h2-8H,9H2,1H3
InChIKeyINKHIZKVRPGGLJ-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.39
Rot. Bonds5

About 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzaldehyde

4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzaldehyde (PubChem CID 735462) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzaldehyde.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzaldehyde
PubChem CID735462
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2O3/c1-19-15-6-10(8-18)2-5-14(15)20-9-11-3-4-12(16)7-13(11)17/h2-8H,9H2,1H3
InChIKeyINKHIZKVRPGGLJ-UHFFFAOYSA-N
XLogP4.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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]-3-methoxybenzaldehyde?
The IUPAC name of 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzaldehyde (CID 735462) is 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzaldehyde.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzaldehyde?
The canonical SMILES for 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzaldehyde is COc1cc(C=O)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzaldehyde?
The InChIKey is INKHIZKVRPGGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c1-19-15-6-10(8-18)2-5-14(15)20-9-11-3-4-12(16)7-13(11)17/h2-8H,9H2,1H3.
What are the key properties of 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzaldehyde?
4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzaldehyde has a molecular weight of 311.16 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzaldehyde is sourced from PubChem (CID 735462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).