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

C16H15BrO2 — CID 50888934

IUPAC5-bromo-2-[(3,4-dimethylphenyl)methoxy]benzaldehyde
SMILESCc1ccc(COc2ccc(Br)cc2C=O)cc1C
InChIInChI=1S/C16H15BrO2/c1-11-3-4-13(7-12(11)2)10-19-16-6-5-15(17)8-14(16)9-18/h3-9H,10H2,1-2H3
InChIKeyIZJVUEPXWRIKAO-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.46
Rot. Bonds4

About 5-bromo-2-[(3,4-dimethylphenyl)methoxy]benzaldehyde

5-bromo-2-[(3,4-dimethylphenyl)methoxy]benzaldehyde (PubChem CID 50888934) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 5-bromo-2-[(3,4-dimethylphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name5-bromo-2-[(3,4-dimethylphenyl)methoxy]benzaldehyde
PubChem CID50888934
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name5-bromo-2-[(3,4-dimethylphenyl)methoxy]benzaldehyde
SMILESCc1ccc(COc2ccc(Br)cc2C=O)cc1C
InChIInChI=1S/C16H15BrO2/c1-11-3-4-13(7-12(11)2)10-19-16-6-5-15(17)8-14(16)9-18/h3-9H,10H2,1-2H3
InChIKeyIZJVUEPXWRIKAO-UHFFFAOYSA-N
XLogP4.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.46
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-[(3,4-dimethylphenyl)methoxy]-5-fluorobenzaldehyde
CID 107697457
5-bromo-2-[(2-methylphenyl)methoxy]benzaldehyde
CID 2063319
5-bromo-2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 63530168
5-bromo-2-(thiophen-3-ylmethoxy)benzaldehyde
CID 43646173
5-bromo-2-[(4-fluoro-2-methylphenyl)methoxy]benzaldehyde
CID 114346022
5-bromo-2-[(3-bromo-4-methoxyphenyl)methoxy]-3-methylbenzaldehyde
CID 115961843
5-bromo-2-[2-(2,6-dimethylphenoxy)ethoxy]benzaldehyde
CID 20993241
1-(5-bromo-2-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine
CID 126208760
N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline
CID 110841024
5-bromo-2-(3-methylbutoxy)benzaldehyde
CID 3816179
5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 882526
5-bromo-2-(3-fluoropropoxy)benzaldehyde
CID 81106104

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3,4-dimethylphenyl)methoxy]benzaldehyde?
The IUPAC name of 5-bromo-2-[(3,4-dimethylphenyl)methoxy]benzaldehyde (CID 50888934) is 5-bromo-2-[(3,4-dimethylphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 5-bromo-2-[(3,4-dimethylphenyl)methoxy]benzaldehyde?
The canonical SMILES for 5-bromo-2-[(3,4-dimethylphenyl)methoxy]benzaldehyde is Cc1ccc(COc2ccc(Br)cc2C=O)cc1C.
What is the InChIKey of 5-bromo-2-[(3,4-dimethylphenyl)methoxy]benzaldehyde?
The InChIKey is IZJVUEPXWRIKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-11-3-4-13(7-12(11)2)10-19-16-6-5-15(17)8-14(16)9-18/h3-9H,10H2,1-2H3.
What are the key properties of 5-bromo-2-[(3,4-dimethylphenyl)methoxy]benzaldehyde?
5-bromo-2-[(3,4-dimethylphenyl)methoxy]benzaldehyde has a molecular weight of 319.20 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3,4-dimethylphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 50888934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).