4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxybenzaldehyde

C16H14BrFO3 — CID 79700724

IUPAC4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxybenzaldehyde
SMILESCCOc1cc(C=O)ccc1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C16H14BrFO3/c1-2-20-16-7-11(9-19)3-4-15(16)21-10-12-5-13(17)8-14(18)6-12/h3-9H,2,10H2,1H3
InChIKeyWBQMXJHHSJXEKR-UHFFFAOYSA-N
MW353.19 g/mol
LogP4.38
Rot. Bonds6

About 4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxybenzaldehyde

4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxybenzaldehyde (PubChem CID 79700724) has the molecular formula C16H14BrFO3 and a molecular weight of 353.19 g/mol. Its IUPAC name is 4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxybenzaldehyde.

Molecular Properties

Compound Name4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxybenzaldehyde
PubChem CID79700724
Molecular FormulaC16H14BrFO3
Molecular Weight353.19 g/mol
Exact Mass352.01
IUPAC Name4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxybenzaldehyde
SMILESCCOc1cc(C=O)ccc1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C16H14BrFO3/c1-2-20-16-7-11(9-19)3-4-15(16)21-10-12-5-13(17)8-14(18)6-12/h3-9H,2,10H2,1H3
InChIKeyWBQMXJHHSJXEKR-UHFFFAOYSA-N
XLogP4.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 54.38
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

4-[(5-bromo-3-pyridinyl)methoxy]-3-ethoxybenzaldehyde
CID 115580518
[4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 79698175
2-[(3-bromo-5-fluorophenyl)methoxy]-5-methylbenzaldehyde
CID 79705645
3-ethoxy-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 78767323
3-ethoxy-4-[(4-iodophenyl)methoxy]benzaldehyde
CID 43826418
4-[(2-ethoxy-4-formylphenoxy)methyl]benzoate
CID 4745695
4-[(4-chloro-2-fluorophenyl)methoxy]-3-ethoxybenzaldehyde
CID 114849372
3-[(2-ethoxy-4-formylphenoxy)methyl]benzoic acid
CID 46785879
1-[4-[(3-bromo-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone
CID 79671185
3-ethoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzaldehyde
CID 55134135
3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde
CID 168878587
[3-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 79705064

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxybenzaldehyde?
The IUPAC name of 4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxybenzaldehyde (CID 79700724) is 4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxybenzaldehyde.
What is the SMILES notation for 4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxybenzaldehyde?
The canonical SMILES for 4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxybenzaldehyde is CCOc1cc(C=O)ccc1OCc1cc(F)cc(Br)c1.
What is the InChIKey of 4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxybenzaldehyde?
The InChIKey is WBQMXJHHSJXEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO3/c1-2-20-16-7-11(9-19)3-4-15(16)21-10-12-5-13(17)8-14(18)6-12/h3-9H,2,10H2,1H3.
What are the key properties of 4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxybenzaldehyde?
4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxybenzaldehyde has a molecular weight of 353.19 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxybenzaldehyde is sourced from PubChem (CID 79700724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).