3-[(2-bromo-4-chlorophenyl)methoxy]benzaldehyde

C14H10BrClO2 — CID 126674158

IUPAC3-[(2-bromo-4-chlorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cccc(OCc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C14H10BrClO2/c15-14-7-12(16)5-4-11(14)9-18-13-3-1-2-10(6-13)8-17/h1-8H,9H2
InChIKeyQBLYBWARUKAUBO-UHFFFAOYSA-N
MW325.59 g/mol
LogP4.49
Rot. Bonds4

About 3-[(2-bromo-4-chlorophenyl)methoxy]benzaldehyde

3-[(2-bromo-4-chlorophenyl)methoxy]benzaldehyde (PubChem CID 126674158) has the molecular formula C14H10BrClO2 and a molecular weight of 325.59 g/mol. Its IUPAC name is 3-[(2-bromo-4-chlorophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-[(2-bromo-4-chlorophenyl)methoxy]benzaldehyde
PubChem CID126674158
Molecular FormulaC14H10BrClO2
Molecular Weight325.59 g/mol
Exact Mass323.96
IUPAC Name3-[(2-bromo-4-chlorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cccc(OCc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C14H10BrClO2/c15-14-7-12(16)5-4-11(14)9-18-13-3-1-2-10(6-13)8-17/h1-8H,9H2
InChIKeyQBLYBWARUKAUBO-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 54.49
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-chloro-2-fluorophenyl)methoxy]benzaldehyde
CID 102974979
3-[(2-bromo-4,5-dimethoxyphenyl)methoxy]benzaldehyde
CID 9368529
3-fluoro-4-[(3-formylphenoxy)methyl]benzonitrile
CID 24708023
3-[(3,4,5-trifluoro-2-methylphenyl)methoxy]benzaldehyde
CID 144776054
[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidenehydrazine
CID 168530136
3-[[2-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 141490494
4-fluoro-3-[(3-formylphenoxy)methyl]benzohydrazide
CID 107458163
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
3-(fluoromethoxy)benzaldehyde
CID 22718686
3-(quinolin-8-ylmethoxy)benzaldehyde
CID 28775093
5-[[3-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168598093
3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-chlorophenyl)methoxy]benzaldehyde?
The IUPAC name of 3-[(2-bromo-4-chlorophenyl)methoxy]benzaldehyde (CID 126674158) is 3-[(2-bromo-4-chlorophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-[(2-bromo-4-chlorophenyl)methoxy]benzaldehyde?
The canonical SMILES for 3-[(2-bromo-4-chlorophenyl)methoxy]benzaldehyde is O=Cc1cccc(OCc2ccc(Cl)cc2Br)c1.
What is the InChIKey of 3-[(2-bromo-4-chlorophenyl)methoxy]benzaldehyde?
The InChIKey is QBLYBWARUKAUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClO2/c15-14-7-12(16)5-4-11(14)9-18-13-3-1-2-10(6-13)8-17/h1-8H,9H2.
What are the key properties of 3-[(2-bromo-4-chlorophenyl)methoxy]benzaldehyde?
3-[(2-bromo-4-chlorophenyl)methoxy]benzaldehyde has a molecular weight of 325.59 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4-chlorophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 126674158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).