3-(4-bromophenoxy)benzaldehyde

C13H9BrO2 — CID 12874363

IUPAC3-(4-bromophenoxy)benzaldehyde
SMILESO=Cc1cccc(Oc2ccc(Br)cc2)c1
InChIInChI=1S/C13H9BrO2/c14-11-4-6-12(7-5-11)16-13-3-1-2-10(8-13)9-15/h1-9H
InChIKeyKPLSAAJEPBBHQI-UHFFFAOYSA-N
MW277.12 g/mol
LogP4.05
Rot. Bonds3

About 3-(4-bromophenoxy)benzaldehyde

3-(4-bromophenoxy)benzaldehyde (PubChem CID 12874363) has the molecular formula C13H9BrO2 and a molecular weight of 277.12 g/mol. Its IUPAC name is 3-(4-bromophenoxy)benzaldehyde.

Molecular Properties

Compound Name3-(4-bromophenoxy)benzaldehyde
PubChem CID12874363
Molecular FormulaC13H9BrO2
Molecular Weight277.12 g/mol
Exact Mass275.98
IUPAC Name3-(4-bromophenoxy)benzaldehyde
SMILESO=Cc1cccc(Oc2ccc(Br)cc2)c1
InChIInChI=1S/C13H9BrO2/c14-11-4-6-12(7-5-11)16-13-3-1-2-10(8-13)9-15/h1-9H
InChIKeyKPLSAAJEPBBHQI-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

3-(4-bromophenoxy)benzaldehyde;ethane
CID 143176303
4-(3-formylphenoxy)benzonitrile
CID 13238540
3-(3,5-dimethoxyphenoxy)benzaldehyde
CID 63944242
3-(4-butan-2-ylphenoxy)benzaldehyde
CID 107665630
3-[3-(trifluoromethyl)phenoxy]benzaldehyde
CID 522711
3-[(6-chloro-3-pyridinyl)oxy]benzaldehyde
CID 170946631
3-phenoxybenzaldehyde;(3-phenoxyphenyl)methanol
CID 138731649
4-(4-bromophenoxy)-3,5-difluorobenzaldehyde
CID 55146396
(3-formylphenyl) formate
CID 58195323
1-bromo-4-(4-bromophenoxy)benzene
CID 16305
3-[4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]benzaldehyde
CID 85417491
3-bromobenzaldehyde;hydrobromide
CID 87841856

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)benzaldehyde?
The IUPAC name of 3-(4-bromophenoxy)benzaldehyde (CID 12874363) is 3-(4-bromophenoxy)benzaldehyde.
What is the SMILES notation for 3-(4-bromophenoxy)benzaldehyde?
The canonical SMILES for 3-(4-bromophenoxy)benzaldehyde is O=Cc1cccc(Oc2ccc(Br)cc2)c1.
What is the InChIKey of 3-(4-bromophenoxy)benzaldehyde?
The InChIKey is KPLSAAJEPBBHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrO2/c14-11-4-6-12(7-5-11)16-13-3-1-2-10(8-13)9-15/h1-9H.
What are the key properties of 3-(4-bromophenoxy)benzaldehyde?
3-(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 3-(4-bromophenoxy)benzaldehyde is sourced from PubChem (CID 12874363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).