2-(4-bromophenoxy)-6-chlorobenzaldehyde

C13H8BrClO2 — CID 28552833

IUPAC2-(4-bromophenoxy)-6-chlorobenzaldehyde
SMILESO=Cc1c(Cl)cccc1Oc1ccc(Br)cc1
InChIInChI=1S/C13H8BrClO2/c14-9-4-6-10(7-5-9)17-13-3-1-2-12(15)11(13)8-16/h1-8H
InChIKeySHRPVKSMBIBYJH-UHFFFAOYSA-N
MW311.56 g/mol
LogP4.71
Rot. Bonds3

About 2-(4-bromophenoxy)-6-chlorobenzaldehyde

2-(4-bromophenoxy)-6-chlorobenzaldehyde (PubChem CID 28552833) has the molecular formula C13H8BrClO2 and a molecular weight of 311.56 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-6-chlorobenzaldehyde.

Molecular Properties

Compound Name2-(4-bromophenoxy)-6-chlorobenzaldehyde
PubChem CID28552833
Molecular FormulaC13H8BrClO2
Molecular Weight311.56 g/mol
Exact Mass309.94
IUPAC Name2-(4-bromophenoxy)-6-chlorobenzaldehyde
SMILESO=Cc1c(Cl)cccc1Oc1ccc(Br)cc1
InChIInChI=1S/C13H8BrClO2/c14-9-4-6-10(7-5-9)17-13-3-1-2-12(15)11(13)8-16/h1-8H
InChIKeySHRPVKSMBIBYJH-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

2-chloro-6-phenoxybenzaldehyde
CID 18663602
2-(3-bromo-4-fluorophenoxy)-6-chlorobenzaldehyde
CID 83233968
2-(3-bromo-5-fluorophenoxy)-6-chlorobenzaldehyde
CID 81331815
1-bromo-4-(2-chlorophenoxy)benzene
CID 21454528
2-(4-bromo-2-nitrophenoxy)-6-chlorobenzaldehyde
CID 65431300
2-(4-bromophenoxy)benzaldehyde
CID 28604058
2-(4-bromophenoxy)-6-chlorobenzamide
CID 62500569
2-chloro-6-(3-methylsulfonylphenoxy)benzaldehyde
CID 43807103
2-chloro-6-(2,3,6-trimethylphenoxy)benzaldehyde
CID 43167605
2-(3-chloro-2-formylphenoxy)benzamide
CID 28603903
2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde
CID 15612007
2-[tert-butyl(dimethyl)silyl]oxy-6-chlorobenzaldehyde
CID 167734827

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-6-chlorobenzaldehyde?
The IUPAC name of 2-(4-bromophenoxy)-6-chlorobenzaldehyde (CID 28552833) is 2-(4-bromophenoxy)-6-chlorobenzaldehyde.
What is the SMILES notation for 2-(4-bromophenoxy)-6-chlorobenzaldehyde?
The canonical SMILES for 2-(4-bromophenoxy)-6-chlorobenzaldehyde is O=Cc1c(Cl)cccc1Oc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-6-chlorobenzaldehyde?
The InChIKey is SHRPVKSMBIBYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClO2/c14-9-4-6-10(7-5-9)17-13-3-1-2-12(15)11(13)8-16/h1-8H.
What are the key properties of 2-(4-bromophenoxy)-6-chlorobenzaldehyde?
2-(4-bromophenoxy)-6-chlorobenzaldehyde 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 2-(4-bromophenoxy)-6-chlorobenzaldehyde is sourced from PubChem (CID 28552833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).