5-bromo-2-[(2-methylphenyl)methoxy]benzaldehyde

C15H13BrO2 — CID 2063319

IUPAC5-bromo-2-[(2-methylphenyl)methoxy]benzaldehyde
SMILESCc1ccccc1COc1ccc(Br)cc1C=O
InChIInChI=1S/C15H13BrO2/c1-11-4-2-3-5-12(11)10-18-15-7-6-14(16)8-13(15)9-17/h2-9H,10H2,1H3
InChIKeyVBAVGUUEKBAMHX-UHFFFAOYSA-N
MW305.17 g/mol
LogP4.15
Rot. Bonds4

About 5-bromo-2-[(2-methylphenyl)methoxy]benzaldehyde

5-bromo-2-[(2-methylphenyl)methoxy]benzaldehyde (PubChem CID 2063319) has the molecular formula C15H13BrO2 and a molecular weight of 305.17 g/mol. Its IUPAC name is 5-bromo-2-[(2-methylphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name5-bromo-2-[(2-methylphenyl)methoxy]benzaldehyde
PubChem CID2063319
Molecular FormulaC15H13BrO2
Molecular Weight305.17 g/mol
Exact Mass304.01
IUPAC Name5-bromo-2-[(2-methylphenyl)methoxy]benzaldehyde
SMILESCc1ccccc1COc1ccc(Br)cc1C=O
InChIInChI=1S/C15H13BrO2/c1-11-4-2-3-5-12(11)10-18-15-7-6-14(16)8-13(15)9-17/h2-9H,10H2,1H3
InChIKeyVBAVGUUEKBAMHX-UHFFFAOYSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 54.15
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

5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 882526
5-bromo-2-[(4-fluoro-2-methylphenyl)methoxy]benzaldehyde
CID 114346022
5-bromo-2-[2-(2,6-dimethylphenoxy)ethoxy]benzaldehyde
CID 20993241
5-bromo-2-[(3,4-dimethylphenyl)methoxy]benzaldehyde
CID 50888934
2-[(5-bromo-2-methoxyphenyl)methoxy]benzaldehyde
CID 60710592
3-[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866451
2-[(2,4-dimethylphenoxy)methyl]benzaldehyde
CID 19879846
5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]benzaldehyde
CID 28838282
5-bromo-2-[(2-chlorophenyl)methoxy]-3-methylbenzaldehyde
CID 112620643
4-bromo-2-[methyl-[(2-methylphenyl)methyl]amino]benzaldehyde
CID 63534951
2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde
CID 43324795
5-bromo-2-(3-methylbutoxy)benzaldehyde
CID 3816179

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-methylphenyl)methoxy]benzaldehyde?
The IUPAC name of 5-bromo-2-[(2-methylphenyl)methoxy]benzaldehyde (CID 2063319) is 5-bromo-2-[(2-methylphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 5-bromo-2-[(2-methylphenyl)methoxy]benzaldehyde?
The canonical SMILES for 5-bromo-2-[(2-methylphenyl)methoxy]benzaldehyde is Cc1ccccc1COc1ccc(Br)cc1C=O.
What is the InChIKey of 5-bromo-2-[(2-methylphenyl)methoxy]benzaldehyde?
The InChIKey is VBAVGUUEKBAMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2/c1-11-4-2-3-5-12(11)10-18-15-7-6-14(16)8-13(15)9-17/h2-9H,10H2,1H3.
What are the key properties of 5-bromo-2-[(2-methylphenyl)methoxy]benzaldehyde?
5-bromo-2-[(2-methylphenyl)methoxy]benzaldehyde has a molecular weight of 305.17 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-methylphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 2063319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).