3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]benzaldehyde

C14H8BrCl3O2 — CID 21211233

IUPAC3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1
InChIInChI=1S/C14H8BrCl3O2/c15-10-3-9(6-19)5-13(18)14(10)20-7-8-1-2-11(16)12(17)4-8/h1-6H,7H2
InChIKeyUCSKFUPKGXNKRK-UHFFFAOYSA-N
MW394.48 g/mol
LogP5.80
Rot. Bonds4

About 3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]benzaldehyde

3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]benzaldehyde (PubChem CID 21211233) has the molecular formula C14H8BrCl3O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]benzaldehyde
PubChem CID21211233
Molecular FormulaC14H8BrCl3O2
Molecular Weight394.48 g/mol
Exact Mass391.88
IUPAC Name3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1
InChIInChI=1S/C14H8BrCl3O2/c15-10-3-9(6-19)5-13(18)14(10)20-7-8-1-2-11(16)12(17)4-8/h1-6H,7H2
InChIKeyUCSKFUPKGXNKRK-UHFFFAOYSA-N
XLogP5.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoyl chloride
CID 91686134
methyl (E)-3-[3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoate
CID 91686132
3,5-dibromo-4-[(3-chlorophenyl)methoxy]benzaldehyde
CID 4770151
3,5-dibromo-4-[(3,4-difluorophenyl)methoxy]benzaldehyde
CID 107738333
3,5-dibromo-4-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
CID 107738328
3-amino-1-[3,5-dibromo-4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-1-en-2-ol
CID 70592651
N-[(E)-[3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126238427
3,5-dichloro-4-[(4-iodophenyl)methoxy]benzaldehyde
CID 3417152
(5Z)-5-[[3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126387082
(5E)-5-[[3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 126072533
N-[(Z)-[3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-nitropyridin-2-amine
CID 21209414
(5E)-5-[[3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 124532472

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]benzaldehyde?
The IUPAC name of 3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]benzaldehyde (CID 21211233) is 3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]benzaldehyde?
The canonical SMILES for 3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]benzaldehyde is O=Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]benzaldehyde?
The InChIKey is UCSKFUPKGXNKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl3O2/c15-10-3-9(6-19)5-13(18)14(10)20-7-8-1-2-11(16)12(17)4-8/h1-6H,7H2.
What are the key properties of 3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]benzaldehyde?
3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]benzaldehyde has a molecular weight of 394.48 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 21211233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).