2-bromo-6-fluoro-4-[(4-methoxyphenyl)methoxy]benzaldehyde

C15H12BrFO3 — CID 118663690

IUPAC2-bromo-6-fluoro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
SMILESCOc1ccc(COc2cc(F)c(C=O)c(Br)c2)cc1
InChIInChI=1S/C15H12BrFO3/c1-19-11-4-2-10(3-5-11)9-20-12-6-14(16)13(8-18)15(17)7-12/h2-8H,9H2,1H3
InChIKeyHYGRNFMUOYOXNJ-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.99
Rot. Bonds5

About 2-bromo-6-fluoro-4-[(4-methoxyphenyl)methoxy]benzaldehyde

2-bromo-6-fluoro-4-[(4-methoxyphenyl)methoxy]benzaldehyde (PubChem CID 118663690) has the molecular formula C15H12BrFO3 and a molecular weight of 339.16 g/mol. Its IUPAC name is 2-bromo-6-fluoro-4-[(4-methoxyphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name2-bromo-6-fluoro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
PubChem CID118663690
Molecular FormulaC15H12BrFO3
Molecular Weight339.16 g/mol
Exact Mass338.00
IUPAC Name2-bromo-6-fluoro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
SMILESCOc1ccc(COc2cc(F)c(C=O)c(Br)c2)cc1
InChIInChI=1S/C15H12BrFO3/c1-19-11-4-2-10(3-5-11)9-20-12-6-14(16)13(8-18)15(17)7-12/h2-8H,9H2,1H3
InChIKeyHYGRNFMUOYOXNJ-UHFFFAOYSA-N
XLogP3.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.99
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

2-bromo-5-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 58990542
4-[(4-methoxyphenyl)methoxy]-2,6-dimethylbenzaldehyde
CID 89075943
4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 167309589
[2,6-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl methanesulfonate
CID 118455182
2-chloro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 89247022
3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990
2,4-difluoro-3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 170431907
2-bromo-5-[(3,4-difluorophenyl)methoxy]benzaldehyde
CID 82918902
2-[3-hydroxy-5-[(4-methoxyphenyl)methoxy]phenyl]acetaldehyde
CID 89258147
2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene
CID 83231614
2-fluoro-4-[(4-fluorophenyl)methoxy]benzaldehyde
CID 89250965
4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde
CID 28880560

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-4-[(4-methoxyphenyl)methoxy]benzaldehyde?
The IUPAC name of 2-bromo-6-fluoro-4-[(4-methoxyphenyl)methoxy]benzaldehyde (CID 118663690) is 2-bromo-6-fluoro-4-[(4-methoxyphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 2-bromo-6-fluoro-4-[(4-methoxyphenyl)methoxy]benzaldehyde?
The canonical SMILES for 2-bromo-6-fluoro-4-[(4-methoxyphenyl)methoxy]benzaldehyde is COc1ccc(COc2cc(F)c(C=O)c(Br)c2)cc1.
What is the InChIKey of 2-bromo-6-fluoro-4-[(4-methoxyphenyl)methoxy]benzaldehyde?
The InChIKey is HYGRNFMUOYOXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO3/c1-19-11-4-2-10(3-5-11)9-20-12-6-14(16)13(8-18)15(17)7-12/h2-8H,9H2,1H3.
What are the key properties of 2-bromo-6-fluoro-4-[(4-methoxyphenyl)methoxy]benzaldehyde?
2-bromo-6-fluoro-4-[(4-methoxyphenyl)methoxy]benzaldehyde has a molecular weight of 339.16 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-4-[(4-methoxyphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 118663690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).