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

C15H11Br2FO2 — CID 115961884

IUPAC5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylbenzaldehyde
SMILESCc1cc(Br)cc(C=O)c1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C15H11Br2FO2/c1-9-2-12(16)5-11(7-19)15(9)20-8-10-3-13(17)6-14(18)4-10/h2-7H,8H2,1H3
InChIKeyNFGVMKRXLDRVSX-UHFFFAOYSA-N
MW402.06 g/mol
LogP5.05
Rot. Bonds4

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

5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylbenzaldehyde (PubChem CID 115961884) has the molecular formula C15H11Br2FO2 and a molecular weight of 402.06 g/mol. Its IUPAC name is 5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylbenzaldehyde.

Molecular Properties

Compound Name5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylbenzaldehyde
PubChem CID115961884
Molecular FormulaC15H11Br2FO2
Molecular Weight402.06 g/mol
Exact Mass399.91
IUPAC Name5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylbenzaldehyde
SMILESCc1cc(Br)cc(C=O)c1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C15H11Br2FO2/c1-9-2-12(16)5-11(7-19)15(9)20-8-10-3-13(17)6-14(18)4-10/h2-7H,8H2,1H3
InChIKeyNFGVMKRXLDRVSX-UHFFFAOYSA-N
XLogP5.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.06
LogP ≤ 55.05
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-bromophenyl)methoxy]-3-methylbenzaldehyde
CID 112620538
4-[(3-bromo-5-fluorophenyl)methoxy]-3,5-dimethylaniline
CID 79704433
5-bromo-3-methyl-2-(pyridin-4-ylmethoxy)benzaldehyde
CID 112620547
2-[(3-bromo-5-fluorophenyl)methoxy]-5-methylbenzaldehyde
CID 79705645
5-bromo-3-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
CID 115961814
5-bromo-2-[(3-chlorophenyl)methoxy]-3-methylbenzaldehyde
CID 112620679
5-bromo-3-methyl-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 112620733
5-bromo-2-[(3-bromo-4-methoxyphenyl)methoxy]-3-methylbenzaldehyde
CID 115961843
2-[(4-bromo-2-formyl-6-methylphenoxy)methyl]-4-fluorobenzonitrile
CID 107905939
5-bromo-2-[(2-chlorophenyl)methoxy]-3-methylbenzaldehyde
CID 112620643
5-bromo-2-[(E)-but-2-enoxy]-3-methylbenzaldehyde
CID 112620685
5-bromo-2-(3-hydroxypropoxy)-3-methylbenzaldehyde
CID 112620620

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylbenzaldehyde?
The IUPAC name of 5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylbenzaldehyde (CID 115961884) is 5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylbenzaldehyde.
What is the SMILES notation for 5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylbenzaldehyde?
The canonical SMILES for 5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylbenzaldehyde is Cc1cc(Br)cc(C=O)c1OCc1cc(F)cc(Br)c1.
What is the InChIKey of 5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylbenzaldehyde?
The InChIKey is NFGVMKRXLDRVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2FO2/c1-9-2-12(16)5-11(7-19)15(9)20-8-10-3-13(17)6-14(18)4-10/h2-7H,8H2,1H3.
What are the key properties of 5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylbenzaldehyde?
5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylbenzaldehyde has a molecular weight of 402.06 g/mol, XLogP of 5.05, 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-bromo-5-fluorophenyl)methoxy]-3-methylbenzaldehyde is sourced from PubChem (CID 115961884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).