3-ethoxy-5-iodo-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde

C18H19IO5 — CID 165353614

IUPAC3-ethoxy-5-iodo-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
SMILESCCOc1cc(C=O)cc(I)c1OCCOc1ccccc1OC
InChIInChI=1S/C18H19IO5/c1-3-22-17-11-13(12-20)10-14(19)18(17)24-9-8-23-16-7-5-4-6-15(16)21-2/h4-7,10-12H,3,8-9H2,1-2H3
InChIKeyURJNESSQVBZJBT-UHFFFAOYSA-N
MW442.25 g/mol
LogP3.97
Rot. Bonds9

About 3-ethoxy-5-iodo-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde

3-ethoxy-5-iodo-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde (PubChem CID 165353614) has the molecular formula C18H19IO5 and a molecular weight of 442.25 g/mol. Its IUPAC name is 3-ethoxy-5-iodo-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde.

Molecular Properties

Compound Name3-ethoxy-5-iodo-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
PubChem CID165353614
Molecular FormulaC18H19IO5
Molecular Weight442.25 g/mol
Exact Mass442.03
IUPAC Name3-ethoxy-5-iodo-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
SMILESCCOc1cc(C=O)cc(I)c1OCCOc1ccccc1OC
InChIInChI=1S/C18H19IO5/c1-3-22-17-11-13(12-20)10-14(19)18(17)24-9-8-23-16-7-5-4-6-15(16)21-2/h4-7,10-12H,3,8-9H2,1-2H3
InChIKeyURJNESSQVBZJBT-UHFFFAOYSA-N
XLogP3.97
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.25
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 5123930
4-butoxy-3-ethoxy-5-iodobenzaldehyde
CID 19617695
3-(2-ethoxyphenoxy)-5-methoxy-4-pentoxybenzaldehyde
CID 7139151
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
4-[3-(4-chlorophenoxy)propoxy]-3-ethoxy-5-iodobenzaldehyde
CID 2219736
3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]benzaldehyde
CID 1342243
3-iodo-5-methoxy-4-(3-phenylprop-2-enoxy)benzaldehyde
CID 2975320
4-[(2-bromophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde
CID 598181
3-iodo-5-methoxy-4-(2-methylprop-2-enoxy)benzaldehyde
CID 1247963
5-[[3-bromo-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 3875794
3-chloro-5-ethoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]benzaldehyde
CID 2228014
2-[2-ethoxy-6-iodo-4-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid
CID 29148441

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-iodo-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde?
The IUPAC name of 3-ethoxy-5-iodo-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde (CID 165353614) is 3-ethoxy-5-iodo-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde.
What is the SMILES notation for 3-ethoxy-5-iodo-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde?
The canonical SMILES for 3-ethoxy-5-iodo-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde is CCOc1cc(C=O)cc(I)c1OCCOc1ccccc1OC.
What is the InChIKey of 3-ethoxy-5-iodo-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde?
The InChIKey is URJNESSQVBZJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19IO5/c1-3-22-17-11-13(12-20)10-14(19)18(17)24-9-8-23-16-7-5-4-6-15(16)21-2/h4-7,10-12H,3,8-9H2,1-2H3.
What are the key properties of 3-ethoxy-5-iodo-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde?
3-ethoxy-5-iodo-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde has a molecular weight of 442.25 g/mol, XLogP of 3.97, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-iodo-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde is sourced from PubChem (CID 165353614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).