5-bromo-2-(3-methoxyphenoxy)benzaldehyde

C14H11BrO3 — CID 114061306

IUPAC5-bromo-2-(3-methoxyphenoxy)benzaldehyde
SMILESCOc1cccc(Oc2ccc(Br)cc2C=O)c1
InChIInChI=1S/C14H11BrO3/c1-17-12-3-2-4-13(8-12)18-14-6-5-11(15)7-10(14)9-16/h2-9H,1H3
InChIKeyACALCLKUCYDBQF-UHFFFAOYSA-N
MW307.14 g/mol
LogP4.06
Rot. Bonds4

About 5-bromo-2-(3-methoxyphenoxy)benzaldehyde

5-bromo-2-(3-methoxyphenoxy)benzaldehyde (PubChem CID 114061306) has the molecular formula C14H11BrO3 and a molecular weight of 307.14 g/mol. Its IUPAC name is 5-bromo-2-(3-methoxyphenoxy)benzaldehyde.

Molecular Properties

Compound Name5-bromo-2-(3-methoxyphenoxy)benzaldehyde
PubChem CID114061306
Molecular FormulaC14H11BrO3
Molecular Weight307.14 g/mol
Exact Mass305.99
IUPAC Name5-bromo-2-(3-methoxyphenoxy)benzaldehyde
SMILESCOc1cccc(Oc2ccc(Br)cc2C=O)c1
InChIInChI=1S/C14H11BrO3/c1-17-12-3-2-4-13(8-12)18-14-6-5-11(15)7-10(14)9-16/h2-9H,1H3
InChIKeyACALCLKUCYDBQF-UHFFFAOYSA-N
XLogP4.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-(3-methoxyphenoxy)benzaldehyde
CID 122403845
5-(3-bromophenyl)-2-methoxybenzaldehyde
CID 115503832
3-(3-methoxyphenoxy)-4-methylbenzaldehyde
CID 105405411
2-(2-bromo-4-methoxyphenoxy)-5-fluorobenzaldehyde
CID 104707930
5-fluoro-2-(3-fluorophenoxy)benzaldehyde
CID 43313270
4-(2-bromo-4-methoxyphenoxy)-2-nitrobenzaldehyde
CID 177352375
1,4-dimethoxy-2-(3-methoxyphenoxy)benzene
CID 95561214
ethane;2-(4-methoxyphenoxy)-5-methylbenzaldehyde
CID 143820051
2,3-dimethoxybenzaldehyde;2,5-dimethoxybenzaldehyde
CID 161122515
4-(3-bromophenoxy)-2-methylbenzaldehyde
CID 62136616
1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanone
CID 62909860
5-bromo-2-[2-(2,6-dimethylphenoxy)ethoxy]benzaldehyde
CID 20993241

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-methoxyphenoxy)benzaldehyde?
The IUPAC name of 5-bromo-2-(3-methoxyphenoxy)benzaldehyde (CID 114061306) is 5-bromo-2-(3-methoxyphenoxy)benzaldehyde.
What is the SMILES notation for 5-bromo-2-(3-methoxyphenoxy)benzaldehyde?
The canonical SMILES for 5-bromo-2-(3-methoxyphenoxy)benzaldehyde is COc1cccc(Oc2ccc(Br)cc2C=O)c1.
What is the InChIKey of 5-bromo-2-(3-methoxyphenoxy)benzaldehyde?
The InChIKey is ACALCLKUCYDBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO3/c1-17-12-3-2-4-13(8-12)18-14-6-5-11(15)7-10(14)9-16/h2-9H,1H3.
What are the key properties of 5-bromo-2-(3-methoxyphenoxy)benzaldehyde?
5-bromo-2-(3-methoxyphenoxy)benzaldehyde has a molecular weight of 307.14 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-methoxyphenoxy)benzaldehyde is sourced from PubChem (CID 114061306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).