2-(4-bromophenoxy)benzaldehyde

C13H9BrO2 — CID 28604058

IUPAC2-(4-bromophenoxy)benzaldehyde
SMILESO=Cc1ccccc1Oc1ccc(Br)cc1
InChIInChI=1S/C13H9BrO2/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-9H
InChIKeyYRBZIYHJSQZONN-UHFFFAOYSA-N
MW277.12 g/mol
LogP4.05
Rot. Bonds3

About 2-(4-bromophenoxy)benzaldehyde

2-(4-bromophenoxy)benzaldehyde (PubChem CID 28604058) has the molecular formula C13H9BrO2 and a molecular weight of 277.12 g/mol. Its IUPAC name is 2-(4-bromophenoxy)benzaldehyde.

Molecular Properties

Compound Name2-(4-bromophenoxy)benzaldehyde
PubChem CID28604058
Molecular FormulaC13H9BrO2
Molecular Weight277.12 g/mol
Exact Mass275.98
IUPAC Name2-(4-bromophenoxy)benzaldehyde
SMILESO=Cc1ccccc1Oc1ccc(Br)cc1
InChIInChI=1S/C13H9BrO2/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-9H
InChIKeyYRBZIYHJSQZONN-UHFFFAOYSA-N
XLogP4.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 54.05
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-[4-(2-phenylethenyl)phenoxy]benzaldehyde
CID 57248486
2-pyridin-4-yloxybenzaldehyde
CID 72943025
[4-(2-formylphenoxy)phenyl] thiohypochlorite
CID 19422253
2-(4-ethylphenoxy)benzaldehyde
CID 29041486
4-bromo-2-(4-fluorophenoxy)benzaldehyde
CID 43173970
2-[[2-(4-bromophenoxy)phenyl]methylideneamino]guanidine
CID 168591768
2-(4-bromophenoxy)-6-chlorobenzaldehyde
CID 28552833
1-bromo-4-(2-chlorophenoxy)benzene
CID 21454528
2,4-diphenoxybenzaldehyde
CID 87301631
2-(4-methylbenzene-5-id-1-yl)oxybenzaldehyde;yttrium
CID 59047780
2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde
CID 55224942
4-(5-bromo-2-formylphenoxy)benzonitrile
CID 43364710

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)benzaldehyde?
The IUPAC name of 2-(4-bromophenoxy)benzaldehyde (CID 28604058) is 2-(4-bromophenoxy)benzaldehyde.
What is the SMILES notation for 2-(4-bromophenoxy)benzaldehyde?
The canonical SMILES for 2-(4-bromophenoxy)benzaldehyde is O=Cc1ccccc1Oc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)benzaldehyde?
The InChIKey is YRBZIYHJSQZONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrO2/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-9H.
What are the key properties of 2-(4-bromophenoxy)benzaldehyde?
2-(4-bromophenoxy)benzaldehyde has a molecular weight of 277.12 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)benzaldehyde is sourced from PubChem (CID 28604058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).