4-[(2-bromo-3,4-dimethoxyphenyl)methoxy]benzaldehyde

C16H15BrO4 — CID 60529134

IUPAC4-[(2-bromo-3,4-dimethoxyphenyl)methoxy]benzaldehyde
SMILESCOc1ccc(COc2ccc(C=O)cc2)c(Br)c1OC
InChIInChI=1S/C16H15BrO4/c1-19-14-8-5-12(15(17)16(14)20-2)10-21-13-6-3-11(9-18)4-7-13/h3-9H,10H2,1-2H3
InChIKeyGHRCNMPZKGUQJU-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.86
Rot. Bonds6

About 4-[(2-bromo-3,4-dimethoxyphenyl)methoxy]benzaldehyde

4-[(2-bromo-3,4-dimethoxyphenyl)methoxy]benzaldehyde (PubChem CID 60529134) has the molecular formula C16H15BrO4 and a molecular weight of 351.20 g/mol. Its IUPAC name is 4-[(2-bromo-3,4-dimethoxyphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[(2-bromo-3,4-dimethoxyphenyl)methoxy]benzaldehyde
PubChem CID60529134
Molecular FormulaC16H15BrO4
Molecular Weight351.20 g/mol
Exact Mass350.02
IUPAC Name4-[(2-bromo-3,4-dimethoxyphenyl)methoxy]benzaldehyde
SMILESCOc1ccc(COc2ccc(C=O)cc2)c(Br)c1OC
InChIInChI=1S/C16H15BrO4/c1-19-14-8-5-12(15(17)16(14)20-2)10-21-13-6-3-11(9-18)4-7-13/h3-9H,10H2,1-2H3
InChIKeyGHRCNMPZKGUQJU-UHFFFAOYSA-N
XLogP3.86
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-methoxyphenyl)methoxy]benzaldehyde
CID 4129498
3-[(4-tert-butylphenoxy)methyl]-4-methoxybenzaldehyde
CID 673672
4-[(2-methoxy-5-nitrophenyl)methoxy]benzaldehyde
CID 43212533
3-[(4-ethoxyphenoxy)methyl]-4-(methoxymethoxy)benzaldehyde
CID 86235417
3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzaldehyde
CID 102876852
3-[4-[(5-formyl-2-methoxyphenyl)methoxy]phenyl]propanoic acid
CID 4195976
4-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 27211250
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
3-[(2-bromo-4-methylphenoxy)methyl]-4-methoxybenzaldehyde
CID 60778594
3-[(2-bromo-4,5-dimethoxyphenyl)methoxy]benzaldehyde
CID 9368529
3-[(3-fluorophenoxy)methyl]-4-methoxybenzaldehyde
CID 3503454
2-bromo-1-[[(S)-ethylsulfinyl]methyl]-3,4-dimethoxybenzene
CID 97056142

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-3,4-dimethoxyphenyl)methoxy]benzaldehyde?
The IUPAC name of 4-[(2-bromo-3,4-dimethoxyphenyl)methoxy]benzaldehyde (CID 60529134) is 4-[(2-bromo-3,4-dimethoxyphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 4-[(2-bromo-3,4-dimethoxyphenyl)methoxy]benzaldehyde?
The canonical SMILES for 4-[(2-bromo-3,4-dimethoxyphenyl)methoxy]benzaldehyde is COc1ccc(COc2ccc(C=O)cc2)c(Br)c1OC.
What is the InChIKey of 4-[(2-bromo-3,4-dimethoxyphenyl)methoxy]benzaldehyde?
The InChIKey is GHRCNMPZKGUQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO4/c1-19-14-8-5-12(15(17)16(14)20-2)10-21-13-6-3-11(9-18)4-7-13/h3-9H,10H2,1-2H3.
What are the key properties of 4-[(2-bromo-3,4-dimethoxyphenyl)methoxy]benzaldehyde?
4-[(2-bromo-3,4-dimethoxyphenyl)methoxy]benzaldehyde has a molecular weight of 351.20 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-3,4-dimethoxyphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 60529134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).