3,5-dibromo-4-[(3-chlorophenyl)methoxy]benzaldehyde

C14H9Br2ClO2 — CID 4770151

IUPAC3,5-dibromo-4-[(3-chlorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1
InChIInChI=1S/C14H9Br2ClO2/c15-12-5-10(7-18)6-13(16)14(12)19-8-9-2-1-3-11(17)4-9/h1-7H,8H2
InChIKeyZAVPDOWHKHLJCH-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.26
Rot. Bonds4

About 3,5-dibromo-4-[(3-chlorophenyl)methoxy]benzaldehyde

3,5-dibromo-4-[(3-chlorophenyl)methoxy]benzaldehyde (PubChem CID 4770151) has the molecular formula C14H9Br2ClO2 and a molecular weight of 404.49 g/mol. Its IUPAC name is 3,5-dibromo-4-[(3-chlorophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3,5-dibromo-4-[(3-chlorophenyl)methoxy]benzaldehyde
PubChem CID4770151
Molecular FormulaC14H9Br2ClO2
Molecular Weight404.49 g/mol
Exact Mass401.87
IUPAC Name3,5-dibromo-4-[(3-chlorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1
InChIInChI=1S/C14H9Br2ClO2/c15-12-5-10(7-18)6-13(16)14(12)19-8-9-2-1-3-11(17)4-9/h1-7H,8H2
InChIKeyZAVPDOWHKHLJCH-UHFFFAOYSA-N
XLogP5.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.26
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

3,5-dibromo-4-[(3,4-difluorophenyl)methoxy]benzaldehyde
CID 107738333
3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]benzaldehyde
CID 21211233
5-bromo-2-[(3-chlorophenyl)methoxy]-3-methylbenzaldehyde
CID 112620679
4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde
CID 4770099
5-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126056370
N-(5-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methanimine
CID 126220024
3,5-dibromo-4-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
CID 107738328
3-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]propanoic acid
CID 23648095
(E)-2-acetamido-3-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 6209665
(NE)-N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
CID 6898200
3,5-dibromo-4-[(2,6-difluorophenyl)methoxy]benzaldehyde
CID 107738201
1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126220469

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-[(3-chlorophenyl)methoxy]benzaldehyde?
The IUPAC name of 3,5-dibromo-4-[(3-chlorophenyl)methoxy]benzaldehyde (CID 4770151) is 3,5-dibromo-4-[(3-chlorophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3,5-dibromo-4-[(3-chlorophenyl)methoxy]benzaldehyde?
The canonical SMILES for 3,5-dibromo-4-[(3-chlorophenyl)methoxy]benzaldehyde is O=Cc1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1.
What is the InChIKey of 3,5-dibromo-4-[(3-chlorophenyl)methoxy]benzaldehyde?
The InChIKey is ZAVPDOWHKHLJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2ClO2/c15-12-5-10(7-18)6-13(16)14(12)19-8-9-2-1-3-11(17)4-9/h1-7H,8H2.
What are the key properties of 3,5-dibromo-4-[(3-chlorophenyl)methoxy]benzaldehyde?
3,5-dibromo-4-[(3-chlorophenyl)methoxy]benzaldehyde has a molecular weight of 404.49 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-[(3-chlorophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 4770151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).