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

C21H14Cl4O3 — CID 4767083

IUPAC2,4-bis[(2,4-dichlorophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H14Cl4O3/c22-16-4-1-14(19(24)7-16)11-27-18-6-3-13(10-26)21(9-18)28-12-15-2-5-17(23)8-20(15)25/h1-10H,11-12H2
InChIKeyAGWHUEYGCZUXON-UHFFFAOYSA-N
MW456.15 g/mol
LogP7.27
Rot. Bonds7

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

2,4-bis[(2,4-dichlorophenyl)methoxy]benzaldehyde (PubChem CID 4767083) has the molecular formula C21H14Cl4O3 and a molecular weight of 456.15 g/mol. Its IUPAC name is 2,4-bis[(2,4-dichlorophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name2,4-bis[(2,4-dichlorophenyl)methoxy]benzaldehyde
PubChem CID4767083
Molecular FormulaC21H14Cl4O3
Molecular Weight456.15 g/mol
Exact Mass453.97
IUPAC Name2,4-bis[(2,4-dichlorophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H14Cl4O3/c22-16-4-1-14(19(24)7-16)11-27-18-6-3-13(10-26)21(9-18)28-12-15-2-5-17(23)8-20(15)25/h1-10H,11-12H2
InChIKeyAGWHUEYGCZUXON-UHFFFAOYSA-N
XLogP7.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.15
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-[2-[(2,4-dichlorophenyl)methoxy]-4-(2-methoxyethoxy)phenyl]prop-2-enoate
CID 86617651
4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870
5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]furan-2-carbaldehyde
CID 169334376
(4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone
CID 3914147
2-bromo-6-[(2,4-dichlorophenyl)methoxy]naphthalene
CID 60624704
2-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxybenzaldehyde
CID 115886848
1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanone
CID 78906437
2-[(2,5-dichlorophenyl)methoxy]-5-methoxybenzaldehyde
CID 65317291
1-[(4-tert-butylphenoxy)methyl]-2,4-dichlorobenzene
CID 60627955
2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile
CID 102724001
1-(4-chlorophenyl)-N-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine
CID 3137142
1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-3-hydroxyprop-2-en-1-one
CID 1477571

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(2,4-dichlorophenyl)methoxy]benzaldehyde?
The IUPAC name of 2,4-bis[(2,4-dichlorophenyl)methoxy]benzaldehyde (CID 4767083) is 2,4-bis[(2,4-dichlorophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 2,4-bis[(2,4-dichlorophenyl)methoxy]benzaldehyde?
The canonical SMILES for 2,4-bis[(2,4-dichlorophenyl)methoxy]benzaldehyde is O=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-bis[(2,4-dichlorophenyl)methoxy]benzaldehyde?
The InChIKey is AGWHUEYGCZUXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl4O3/c22-16-4-1-14(19(24)7-16)11-27-18-6-3-13(10-26)21(9-18)28-12-15-2-5-17(23)8-20(15)25/h1-10H,11-12H2.
What are the key properties of 2,4-bis[(2,4-dichlorophenyl)methoxy]benzaldehyde?
2,4-bis[(2,4-dichlorophenyl)methoxy]benzaldehyde has a molecular weight of 456.15 g/mol, XLogP of 7.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[(2,4-dichlorophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 4767083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).