5-bromo-2-[(2-chlorophenyl)methoxy]-3-methylbenzaldehyde

C15H12BrClO2 — CID 112620643

IUPAC5-bromo-2-[(2-chlorophenyl)methoxy]-3-methylbenzaldehyde
SMILESCc1cc(Br)cc(C=O)c1OCc1ccccc1Cl
InChIInChI=1S/C15H12BrClO2/c1-10-6-13(16)7-12(8-18)15(10)19-9-11-4-2-3-5-14(11)17/h2-8H,9H2,1H3
InChIKeyBUDMYQBDBWQWNZ-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.80
Rot. Bonds4

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

5-bromo-2-[(2-chlorophenyl)methoxy]-3-methylbenzaldehyde (PubChem CID 112620643) has the molecular formula C15H12BrClO2 and a molecular weight of 339.62 g/mol. Its IUPAC name is 5-bromo-2-[(2-chlorophenyl)methoxy]-3-methylbenzaldehyde.

Molecular Properties

Compound Name5-bromo-2-[(2-chlorophenyl)methoxy]-3-methylbenzaldehyde
PubChem CID112620643
Molecular FormulaC15H12BrClO2
Molecular Weight339.62 g/mol
Exact Mass337.97
IUPAC Name5-bromo-2-[(2-chlorophenyl)methoxy]-3-methylbenzaldehyde
SMILESCc1cc(Br)cc(C=O)c1OCc1ccccc1Cl
InChIInChI=1S/C15H12BrClO2/c1-10-6-13(16)7-12(8-18)15(10)19-9-11-4-2-3-5-14(11)17/h2-8H,9H2,1H3
InChIKeyBUDMYQBDBWQWNZ-UHFFFAOYSA-N
XLogP4.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.80
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-[(3-chlorophenyl)methoxy]-3-methylbenzaldehyde
CID 112620679
5-bromo-3-methyl-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 112620733
5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 882526
3-chloro-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 112611328
5-bromo-2-[(3-bromophenyl)methoxy]-3-methylbenzaldehyde
CID 112620538
1-bromo-2-[(2-chlorophenyl)methoxy]-3,5-dimethylbenzene
CID 58352129
3-chloro-2-[(2-methylphenyl)methoxy]benzaldehyde
CID 112611304
5-bromo-3-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
CID 115961814
5-bromo-3-methyl-2-(2-phenylethoxy)benzaldehyde
CID 112620614
5-bromo-3-methyl-2-(pyridin-4-ylmethoxy)benzaldehyde
CID 112620547
2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 693298
5-bromo-1-(bromomethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methylbenzene
CID 107306942

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-chlorophenyl)methoxy]-3-methylbenzaldehyde?
The IUPAC name of 5-bromo-2-[(2-chlorophenyl)methoxy]-3-methylbenzaldehyde (CID 112620643) is 5-bromo-2-[(2-chlorophenyl)methoxy]-3-methylbenzaldehyde.
What is the SMILES notation for 5-bromo-2-[(2-chlorophenyl)methoxy]-3-methylbenzaldehyde?
The canonical SMILES for 5-bromo-2-[(2-chlorophenyl)methoxy]-3-methylbenzaldehyde is Cc1cc(Br)cc(C=O)c1OCc1ccccc1Cl.
What is the InChIKey of 5-bromo-2-[(2-chlorophenyl)methoxy]-3-methylbenzaldehyde?
The InChIKey is BUDMYQBDBWQWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO2/c1-10-6-13(16)7-12(8-18)15(10)19-9-11-4-2-3-5-14(11)17/h2-8H,9H2,1H3.
What are the key properties of 5-bromo-2-[(2-chlorophenyl)methoxy]-3-methylbenzaldehyde?
5-bromo-2-[(2-chlorophenyl)methoxy]-3-methylbenzaldehyde has a molecular weight of 339.62 g/mol, XLogP of 4.80, 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-chlorophenyl)methoxy]-3-methylbenzaldehyde is sourced from PubChem (CID 112620643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).