4-(4-bromo-3-chlorophenoxy)benzaldehyde

C13H8BrClO2 — CID 142325397

IUPAC4-(4-bromo-3-chlorophenoxy)benzaldehyde
SMILESO=Cc1ccc(Oc2ccc(Br)c(Cl)c2)cc1
InChIInChI=1S/C13H8BrClO2/c14-12-6-5-11(7-13(12)15)17-10-3-1-9(8-16)2-4-10/h1-8H
InChIKeyNRJQCMRRJXPALJ-UHFFFAOYSA-N
MW311.56 g/mol
LogP4.71
Rot. Bonds3

About 4-(4-bromo-3-chlorophenoxy)benzaldehyde

4-(4-bromo-3-chlorophenoxy)benzaldehyde (PubChem CID 142325397) has the molecular formula C13H8BrClO2 and a molecular weight of 311.56 g/mol. Its IUPAC name is 4-(4-bromo-3-chlorophenoxy)benzaldehyde.

Molecular Properties

Compound Name4-(4-bromo-3-chlorophenoxy)benzaldehyde
PubChem CID142325397
Molecular FormulaC13H8BrClO2
Molecular Weight311.56 g/mol
Exact Mass309.94
IUPAC Name4-(4-bromo-3-chlorophenoxy)benzaldehyde
SMILESO=Cc1ccc(Oc2ccc(Br)c(Cl)c2)cc1
InChIInChI=1S/C13H8BrClO2/c14-12-6-5-11(7-13(12)15)17-10-3-1-9(8-16)2-4-10/h1-8H
InChIKeyNRJQCMRRJXPALJ-UHFFFAOYSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.56
LogP ≤ 54.71
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

4-(3-chloro-4-fluorophenoxy)benzaldehyde
CID 63877798
2-(4-bromo-3-chlorophenoxy)acetaldehyde
CID 130729736
4-(4-fluorophenoxy)benzaldehyde
CID 3856802
3-(4-bromophenoxy)benzaldehyde
CID 12874363
4-[(6-chloro-3-pyridinyl)oxy]benzaldehyde
CID 118176488
3,5-dibromo-4-(4-methoxyphenoxy)benzaldehyde
CID 86660065
4-(3-chloro-4-fluorophenoxy)-3-fluorobenzaldehyde
CID 63877969
2-chloro-4-(3,4-dichlorophenoxy)benzaldehyde
CID 114064183
4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde
CID 23433219
4-(4-bromo-2-fluorophenoxy)benzaldehyde
CID 15143249
3-(4-bromophenoxy)benzaldehyde;ethane
CID 143176303
4-(6,7-dichloroquinoxalin-2-yl)oxybenzaldehyde
CID 133462565

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-chlorophenoxy)benzaldehyde?
The IUPAC name of 4-(4-bromo-3-chlorophenoxy)benzaldehyde (CID 142325397) is 4-(4-bromo-3-chlorophenoxy)benzaldehyde.
What is the SMILES notation for 4-(4-bromo-3-chlorophenoxy)benzaldehyde?
The canonical SMILES for 4-(4-bromo-3-chlorophenoxy)benzaldehyde is O=Cc1ccc(Oc2ccc(Br)c(Cl)c2)cc1.
What is the InChIKey of 4-(4-bromo-3-chlorophenoxy)benzaldehyde?
The InChIKey is NRJQCMRRJXPALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClO2/c14-12-6-5-11(7-13(12)15)17-10-3-1-9(8-16)2-4-10/h1-8H.
What are the key properties of 4-(4-bromo-3-chlorophenoxy)benzaldehyde?
4-(4-bromo-3-chlorophenoxy)benzaldehyde has a molecular weight of 311.56 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-chlorophenoxy)benzaldehyde is sourced from PubChem (CID 142325397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).