4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-difluorobenzaldehyde

C15H11BrF2O3 — CID 79884305

IUPAC4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-difluorobenzaldehyde
SMILESCOc1ccc(Br)c(COc2c(F)cc(C=O)cc2F)c1
InChIInChI=1S/C15H11BrF2O3/c1-20-11-2-3-12(16)10(6-11)8-21-15-13(17)4-9(7-19)5-14(15)18/h2-7H,8H2,1H3
InChIKeyXRSYRTATXVQACS-UHFFFAOYSA-N
MW357.15 g/mol
LogP4.13
Rot. Bonds5

About 4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-difluorobenzaldehyde

4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-difluorobenzaldehyde (PubChem CID 79884305) has the molecular formula C15H11BrF2O3 and a molecular weight of 357.15 g/mol. Its IUPAC name is 4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-difluorobenzaldehyde.

Molecular Properties

Compound Name4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-difluorobenzaldehyde
PubChem CID79884305
Molecular FormulaC15H11BrF2O3
Molecular Weight357.15 g/mol
Exact Mass355.99
IUPAC Name4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-difluorobenzaldehyde
SMILESCOc1ccc(Br)c(COc2c(F)cc(C=O)cc2F)c1
InChIInChI=1S/C15H11BrF2O3/c1-20-11-2-3-12(16)10(6-11)8-21-15-13(17)4-9(7-19)5-14(15)18/h2-7H,8H2,1H3
InChIKeyXRSYRTATXVQACS-UHFFFAOYSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 54.13
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

1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-methoxybenzene
CID 65326131
4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluoroaniline
CID 65322368
[4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-dimethylphenyl]methanol
CID 65322781
4-[(2-bromo-5-methoxyphenyl)methoxy]-3-fluoroaniline
CID 65322224
[3,5-dibromo-4-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741569
1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene
CID 102983162
3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-5-methoxybenzaldehyde
CID 43622448
3-fluoro-4-[4-methoxy-2-(methoxymethyl)phenyl]benzaldehyde
CID 172652041
4-[(3-bromo-2,6-difluorophenyl)methoxy]-3,5-dimethylbenzaldehyde
CID 106264128
(1R)-1-[4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718303
1-bromo-2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102876842
1-[(2-bromo-5-methoxyphenyl)methoxy]-5-methoxynaphthalene
CID 22728210

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-difluorobenzaldehyde?
The IUPAC name of 4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-difluorobenzaldehyde (CID 79884305) is 4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-difluorobenzaldehyde.
What is the SMILES notation for 4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-difluorobenzaldehyde?
The canonical SMILES for 4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-difluorobenzaldehyde is COc1ccc(Br)c(COc2c(F)cc(C=O)cc2F)c1.
What is the InChIKey of 4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-difluorobenzaldehyde?
The InChIKey is XRSYRTATXVQACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O3/c1-20-11-2-3-12(16)10(6-11)8-21-15-13(17)4-9(7-19)5-14(15)18/h2-7H,8H2,1H3.
What are the key properties of 4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-difluorobenzaldehyde?
4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-difluorobenzaldehyde has a molecular weight of 357.15 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-difluorobenzaldehyde is sourced from PubChem (CID 79884305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).