5-bromo-2-[(3-bromo-4-methoxyphenyl)methoxy]-3-methylbenzaldehyde

C16H14Br2O3 — CID 115961843

IUPAC5-bromo-2-[(3-bromo-4-methoxyphenyl)methoxy]-3-methylbenzaldehyde
SMILESCOc1ccc(COc2c(C)cc(Br)cc2C=O)cc1Br
InChIInChI=1S/C16H14Br2O3/c1-10-5-13(17)7-12(8-19)16(10)21-9-11-3-4-15(20-2)14(18)6-11/h3-8H,9H2,1-2H3
InChIKeyWVQRLGIGRWICLS-UHFFFAOYSA-N
MW414.09 g/mol
LogP4.92
Rot. Bonds5

About 5-bromo-2-[(3-bromo-4-methoxyphenyl)methoxy]-3-methylbenzaldehyde

5-bromo-2-[(3-bromo-4-methoxyphenyl)methoxy]-3-methylbenzaldehyde (PubChem CID 115961843) has the molecular formula C16H14Br2O3 and a molecular weight of 414.09 g/mol. Its IUPAC name is 5-bromo-2-[(3-bromo-4-methoxyphenyl)methoxy]-3-methylbenzaldehyde.

Molecular Properties

Compound Name5-bromo-2-[(3-bromo-4-methoxyphenyl)methoxy]-3-methylbenzaldehyde
PubChem CID115961843
Molecular FormulaC16H14Br2O3
Molecular Weight414.09 g/mol
Exact Mass411.93
IUPAC Name5-bromo-2-[(3-bromo-4-methoxyphenyl)methoxy]-3-methylbenzaldehyde
SMILESCOc1ccc(COc2c(C)cc(Br)cc2C=O)cc1Br
InChIInChI=1S/C16H14Br2O3/c1-10-5-13(17)7-12(8-19)16(10)21-9-11-3-4-15(20-2)14(18)6-11/h3-8H,9H2,1-2H3
InChIKeyWVQRLGIGRWICLS-UHFFFAOYSA-N
XLogP4.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.09
LogP ≤ 54.92
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

5-bromo-2-[(3-bromophenyl)methoxy]-3-methylbenzaldehyde
CID 112620538
5-bromo-3-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
CID 115961814
5-bromo-3-methyl-2-(pyridin-4-ylmethoxy)benzaldehyde
CID 112620547
5-bromo-2-[(3-chlorophenyl)methoxy]-3-methylbenzaldehyde
CID 112620679
2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene
CID 60673478
5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylbenzaldehyde
CID 115961884
5-bromo-2-[(3,4-dimethylphenyl)methoxy]benzaldehyde
CID 50888934
[3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741586
2-bromo-4-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1-methoxybenzene
CID 115956472
5-bromo-3-methyl-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 112620733
5-bromo-2-[(2-chlorophenyl)methoxy]-3-methylbenzaldehyde
CID 112620643
5-bromo-2-[2-(2,6-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 22683877

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3-bromo-4-methoxyphenyl)methoxy]-3-methylbenzaldehyde?
The IUPAC name of 5-bromo-2-[(3-bromo-4-methoxyphenyl)methoxy]-3-methylbenzaldehyde (CID 115961843) is 5-bromo-2-[(3-bromo-4-methoxyphenyl)methoxy]-3-methylbenzaldehyde.
What is the SMILES notation for 5-bromo-2-[(3-bromo-4-methoxyphenyl)methoxy]-3-methylbenzaldehyde?
The canonical SMILES for 5-bromo-2-[(3-bromo-4-methoxyphenyl)methoxy]-3-methylbenzaldehyde is COc1ccc(COc2c(C)cc(Br)cc2C=O)cc1Br.
What is the InChIKey of 5-bromo-2-[(3-bromo-4-methoxyphenyl)methoxy]-3-methylbenzaldehyde?
The InChIKey is WVQRLGIGRWICLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2O3/c1-10-5-13(17)7-12(8-19)16(10)21-9-11-3-4-15(20-2)14(18)6-11/h3-8H,9H2,1-2H3.
What are the key properties of 5-bromo-2-[(3-bromo-4-methoxyphenyl)methoxy]-3-methylbenzaldehyde?
5-bromo-2-[(3-bromo-4-methoxyphenyl)methoxy]-3-methylbenzaldehyde has a molecular weight of 414.09 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3-bromo-4-methoxyphenyl)methoxy]-3-methylbenzaldehyde is sourced from PubChem (CID 115961843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).