4-[2-(4-formylphenoxy)ethoxy]benzaldehyde

C16H14O4 — CID 578122

IUPAC4-[2-(4-formylphenoxy)ethoxy]benzaldehyde
SMILESO=Cc1ccc(OCCOc2ccc(C=O)cc2)cc1
InChIInChI=1S/C16H14O4/c17-11-13-1-5-15(6-2-13)19-9-10-20-16-7-3-14(12-18)4-8-16/h1-8,11-12H,9-10H2
InChIKeyNZXKMTOTHHFKJB-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.77
Rot. Bonds7

About 4-[2-(4-formylphenoxy)ethoxy]benzaldehyde

4-[2-(4-formylphenoxy)ethoxy]benzaldehyde (PubChem CID 578122) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 4-[2-(4-formylphenoxy)ethoxy]benzaldehyde.

Molecular Properties

Compound Name4-[2-(4-formylphenoxy)ethoxy]benzaldehyde
PubChem CID578122
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name4-[2-(4-formylphenoxy)ethoxy]benzaldehyde
SMILESO=Cc1ccc(OCCOc2ccc(C=O)cc2)cc1
InChIInChI=1S/C16H14O4/c17-11-13-1-5-15(6-2-13)19-9-10-20-16-7-3-14(12-18)4-8-16/h1-8,11-12H,9-10H2
InChIKeyNZXKMTOTHHFKJB-UHFFFAOYSA-N
XLogP2.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-formylphenoxy)ethoxy]benzaldehyde?
The IUPAC name of 4-[2-(4-formylphenoxy)ethoxy]benzaldehyde (CID 578122) is 4-[2-(4-formylphenoxy)ethoxy]benzaldehyde.
What is the SMILES notation for 4-[2-(4-formylphenoxy)ethoxy]benzaldehyde?
The canonical SMILES for 4-[2-(4-formylphenoxy)ethoxy]benzaldehyde is O=Cc1ccc(OCCOc2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-[2-(4-formylphenoxy)ethoxy]benzaldehyde?
The InChIKey is NZXKMTOTHHFKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c17-11-13-1-5-15(6-2-13)19-9-10-20-16-7-3-14(12-18)4-8-16/h1-8,11-12H,9-10H2.
What are the key properties of 4-[2-(4-formylphenoxy)ethoxy]benzaldehyde?
4-[2-(4-formylphenoxy)ethoxy]benzaldehyde has a molecular weight of 270.28 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-formylphenoxy)ethoxy]benzaldehyde is sourced from PubChem (CID 578122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).