4-(3-bromophenoxy)-3-chlorobenzaldehyde

C13H8BrClO2 — CID 81152635

IUPAC4-(3-bromophenoxy)-3-chlorobenzaldehyde
SMILESO=Cc1ccc(Oc2cccc(Br)c2)c(Cl)c1
InChIInChI=1S/C13H8BrClO2/c14-10-2-1-3-11(7-10)17-13-5-4-9(8-16)6-12(13)15/h1-8H
InChIKeyQJNZDQCLISBJMV-UHFFFAOYSA-N
MW311.56 g/mol
LogP4.71
Rot. Bonds3

About 4-(3-bromophenoxy)-3-chlorobenzaldehyde

4-(3-bromophenoxy)-3-chlorobenzaldehyde (PubChem CID 81152635) has the molecular formula C13H8BrClO2 and a molecular weight of 311.56 g/mol. Its IUPAC name is 4-(3-bromophenoxy)-3-chlorobenzaldehyde.

Molecular Properties

Compound Name4-(3-bromophenoxy)-3-chlorobenzaldehyde
PubChem CID81152635
Molecular FormulaC13H8BrClO2
Molecular Weight311.56 g/mol
Exact Mass309.94
IUPAC Name4-(3-bromophenoxy)-3-chlorobenzaldehyde
SMILESO=Cc1ccc(Oc2cccc(Br)c2)c(Cl)c1
InChIInChI=1S/C13H8BrClO2/c14-10-2-1-3-11(7-10)17-13-5-4-9(8-16)6-12(13)15/h1-8H
InChIKeyQJNZDQCLISBJMV-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

3-chloro-4-(3-chlorophenoxy)benzaldehyde
CID 81152636
3-chloro-4-(3-nitrophenoxy)benzaldehyde
CID 81151682
3-(2,4,5-trichlorophenoxy)benzaldehyde
CID 63942666
3-chloro-4-(4-chloro-3-methylphenoxy)benzaldehyde
CID 81145845
4-chloro-3-(3-chlorophenoxy)benzaldehyde
CID 170985401
4-[2-(3-bromophenyl)-2-oxoethoxy]-3-chlorobenzaldehyde
CID 62033108
4-(4-tert-butylphenoxy)-3-chlorobenzaldehyde
CID 81151884
3-chloro-4-(4-ethylphenoxy)benzaldehyde
CID 81151574
4-[2-(4-bromophenoxy)ethoxy]-3-chlorobenzaldehyde
CID 63529195
4-(3-chlorophenoxy)-3-methoxybenzaldehyde
CID 141471481
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815
3-chloro-4-[(6-methyl-3-pyridinyl)oxy]benzaldehyde
CID 81151107

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)-3-chlorobenzaldehyde?
The IUPAC name of 4-(3-bromophenoxy)-3-chlorobenzaldehyde (CID 81152635) is 4-(3-bromophenoxy)-3-chlorobenzaldehyde.
What is the SMILES notation for 4-(3-bromophenoxy)-3-chlorobenzaldehyde?
The canonical SMILES for 4-(3-bromophenoxy)-3-chlorobenzaldehyde is O=Cc1ccc(Oc2cccc(Br)c2)c(Cl)c1.
What is the InChIKey of 4-(3-bromophenoxy)-3-chlorobenzaldehyde?
The InChIKey is QJNZDQCLISBJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClO2/c14-10-2-1-3-11(7-10)17-13-5-4-9(8-16)6-12(13)15/h1-8H.
What are the key properties of 4-(3-bromophenoxy)-3-chlorobenzaldehyde?
4-(3-bromophenoxy)-3-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 4-(3-bromophenoxy)-3-chlorobenzaldehyde is sourced from PubChem (CID 81152635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).