3-ethoxy-4-[(4-iodophenyl)methoxy]benzaldehyde

C16H15IO3 — CID 43826418

IUPAC3-ethoxy-4-[(4-iodophenyl)methoxy]benzaldehyde
SMILESCCOc1cc(C=O)ccc1OCc1ccc(I)cc1
InChIInChI=1S/C16H15IO3/c1-2-19-16-9-13(10-18)5-8-15(16)20-11-12-3-6-14(17)7-4-12/h3-10H,2,11H2,1H3
InChIKeyWXDDGGANUASDOQ-UHFFFAOYSA-N
MW382.20 g/mol
LogP4.08
Rot. Bonds6

About 3-ethoxy-4-[(4-iodophenyl)methoxy]benzaldehyde

3-ethoxy-4-[(4-iodophenyl)methoxy]benzaldehyde (PubChem CID 43826418) has the molecular formula C16H15IO3 and a molecular weight of 382.20 g/mol. Its IUPAC name is 3-ethoxy-4-[(4-iodophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-ethoxy-4-[(4-iodophenyl)methoxy]benzaldehyde
PubChem CID43826418
Molecular FormulaC16H15IO3
Molecular Weight382.20 g/mol
Exact Mass382.01
IUPAC Name3-ethoxy-4-[(4-iodophenyl)methoxy]benzaldehyde
SMILESCCOc1cc(C=O)ccc1OCc1ccc(I)cc1
InChIInChI=1S/C16H15IO3/c1-2-19-16-9-13(10-18)5-8-15(16)20-11-12-3-6-14(17)7-4-12/h3-10H,2,11H2,1H3
InChIKeyWXDDGGANUASDOQ-UHFFFAOYSA-N
XLogP4.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-ethoxy-4-formylphenoxy)methyl]benzoate
CID 4745695
3-iodo-4-[(4-iodophenyl)methoxy]benzaldehyde
CID 21211244
3-ethoxy-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 78767323
4-(bromomethyl)-2-ethoxy-1-[(4-iodophenyl)methoxy]benzene
CID 65479456
3-ethoxy-4-iodo-5-phenylmethoxybenzaldehyde
CID 22636947
4-[(5-bromo-3-pyridinyl)methoxy]-3-ethoxybenzaldehyde
CID 115580518
4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxybenzaldehyde
CID 79700724
3-ethoxy-4-[(4-iodophenyl)methoxy]benzonitrile
CID 60650936
(4Z)-4-[[3-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one
CID 19670732
3-[(2-ethoxy-4-formylphenoxy)methyl]benzoic acid
CID 46785879
1-[[3-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-ethylthiourea
CID 3642879
3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde
CID 168878587

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[(4-iodophenyl)methoxy]benzaldehyde?
The IUPAC name of 3-ethoxy-4-[(4-iodophenyl)methoxy]benzaldehyde (CID 43826418) is 3-ethoxy-4-[(4-iodophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-ethoxy-4-[(4-iodophenyl)methoxy]benzaldehyde?
The canonical SMILES for 3-ethoxy-4-[(4-iodophenyl)methoxy]benzaldehyde is CCOc1cc(C=O)ccc1OCc1ccc(I)cc1.
What is the InChIKey of 3-ethoxy-4-[(4-iodophenyl)methoxy]benzaldehyde?
The InChIKey is WXDDGGANUASDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IO3/c1-2-19-16-9-13(10-18)5-8-15(16)20-11-12-3-6-14(17)7-4-12/h3-10H,2,11H2,1H3.
What are the key properties of 3-ethoxy-4-[(4-iodophenyl)methoxy]benzaldehyde?
3-ethoxy-4-[(4-iodophenyl)methoxy]benzaldehyde has a molecular weight of 382.20 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-[(4-iodophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 43826418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).