4-(4-fluoro-3-prop-2-enoxyphenoxy)benzaldehyde

C16H13FO3 — CID 11403025

IUPAC4-(4-fluoro-3-prop-2-enoxyphenoxy)benzaldehyde
SMILESC=CCOc1cc(Oc2ccc(C=O)cc2)ccc1F
InChIInChI=1S/C16H13FO3/c1-2-9-19-16-10-14(7-8-15(16)17)20-13-5-3-12(11-18)4-6-13/h2-8,10-11H,1,9H2
InChIKeyWPOYBYORCQMDIP-UHFFFAOYSA-N
MW272.28 g/mol
LogP4.00
Rot. Bonds6

About 4-(4-fluoro-3-prop-2-enoxyphenoxy)benzaldehyde

4-(4-fluoro-3-prop-2-enoxyphenoxy)benzaldehyde (PubChem CID 11403025) has the molecular formula C16H13FO3 and a molecular weight of 272.28 g/mol. Its IUPAC name is 4-(4-fluoro-3-prop-2-enoxyphenoxy)benzaldehyde.

Molecular Properties

Compound Name4-(4-fluoro-3-prop-2-enoxyphenoxy)benzaldehyde
PubChem CID11403025
Molecular FormulaC16H13FO3
Molecular Weight272.28 g/mol
Exact Mass272.08
IUPAC Name4-(4-fluoro-3-prop-2-enoxyphenoxy)benzaldehyde
SMILESC=CCOc1cc(Oc2ccc(C=O)cc2)ccc1F
InChIInChI=1S/C16H13FO3/c1-2-9-19-16-10-14(7-8-15(16)17)20-13-5-3-12(11-18)4-6-13/h2-8,10-11H,1,9H2
InChIKeyWPOYBYORCQMDIP-UHFFFAOYSA-N
XLogP4.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-prop-2-enoxyphenoxy)benzaldehyde?
The IUPAC name of 4-(4-fluoro-3-prop-2-enoxyphenoxy)benzaldehyde (CID 11403025) is 4-(4-fluoro-3-prop-2-enoxyphenoxy)benzaldehyde.
What is the SMILES notation for 4-(4-fluoro-3-prop-2-enoxyphenoxy)benzaldehyde?
The canonical SMILES for 4-(4-fluoro-3-prop-2-enoxyphenoxy)benzaldehyde is C=CCOc1cc(Oc2ccc(C=O)cc2)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-prop-2-enoxyphenoxy)benzaldehyde?
The InChIKey is WPOYBYORCQMDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO3/c1-2-9-19-16-10-14(7-8-15(16)17)20-13-5-3-12(11-18)4-6-13/h2-8,10-11H,1,9H2.
What are the key properties of 4-(4-fluoro-3-prop-2-enoxyphenoxy)benzaldehyde?
4-(4-fluoro-3-prop-2-enoxyphenoxy)benzaldehyde has a molecular weight of 272.28 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-prop-2-enoxyphenoxy)benzaldehyde is sourced from PubChem (CID 11403025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).