3,5-bis[(4-ethoxyphenyl)methoxy]benzaldehyde

C25H26O5 — CID 25120528

IUPAC3,5-bis[(4-ethoxyphenyl)methoxy]benzaldehyde
SMILESCCOc1ccc(COc2cc(C=O)cc(OCc3ccc(OCC)cc3)c2)cc1
InChIInChI=1S/C25H26O5/c1-3-27-22-9-5-19(6-10-22)17-29-24-13-21(16-26)14-25(15-24)30-18-20-7-11-23(12-8-20)28-4-2/h5-16H,3-4,17-18H2,1-2H3
InChIKeyOZQYOMAZAJWGNP-UHFFFAOYSA-N
MW406.48 g/mol
LogP5.45
Rot. Bonds11

About 3,5-bis[(4-ethoxyphenyl)methoxy]benzaldehyde

3,5-bis[(4-ethoxyphenyl)methoxy]benzaldehyde (PubChem CID 25120528) has the molecular formula C25H26O5 and a molecular weight of 406.48 g/mol. Its IUPAC name is 3,5-bis[(4-ethoxyphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3,5-bis[(4-ethoxyphenyl)methoxy]benzaldehyde
PubChem CID25120528
Molecular FormulaC25H26O5
Molecular Weight406.48 g/mol
Exact Mass406.18
IUPAC Name3,5-bis[(4-ethoxyphenyl)methoxy]benzaldehyde
SMILESCCOc1ccc(COc2cc(C=O)cc(OCc3ccc(OCC)cc3)c2)cc1
InChIInChI=1S/C25H26O5/c1-3-27-22-9-5-19(6-10-22)17-29-24-13-21(16-26)14-25(15-24)30-18-20-7-11-23(12-8-20)28-4-2/h5-16H,3-4,17-18H2,1-2H3
InChIKeyOZQYOMAZAJWGNP-UHFFFAOYSA-N
XLogP5.45
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis[(4-ethoxyphenyl)methoxy]benzaldehyde?
The IUPAC name of 3,5-bis[(4-ethoxyphenyl)methoxy]benzaldehyde (CID 25120528) is 3,5-bis[(4-ethoxyphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3,5-bis[(4-ethoxyphenyl)methoxy]benzaldehyde?
The canonical SMILES for 3,5-bis[(4-ethoxyphenyl)methoxy]benzaldehyde is CCOc1ccc(COc2cc(C=O)cc(OCc3ccc(OCC)cc3)c2)cc1.
What is the InChIKey of 3,5-bis[(4-ethoxyphenyl)methoxy]benzaldehyde?
The InChIKey is OZQYOMAZAJWGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O5/c1-3-27-22-9-5-19(6-10-22)17-29-24-13-21(16-26)14-25(15-24)30-18-20-7-11-23(12-8-20)28-4-2/h5-16H,3-4,17-18H2,1-2H3.
What are the key properties of 3,5-bis[(4-ethoxyphenyl)methoxy]benzaldehyde?
3,5-bis[(4-ethoxyphenyl)methoxy]benzaldehyde has a molecular weight of 406.48 g/mol, XLogP of 5.45, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[(4-ethoxyphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 25120528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).