3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]benzaldehyde

C17H17IO3 — CID 1342243

IUPAC3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]benzaldehyde
SMILESCCOc1cc(C=O)cc(I)c1OCc1cccc(C)c1
InChIInChI=1S/C17H17IO3/c1-3-20-16-9-14(10-19)8-15(18)17(16)21-11-13-6-4-5-12(2)7-13/h4-10H,3,11H2,1-2H3
InChIKeySKYVIVSXKUFMCY-UHFFFAOYSA-N
MW396.22 g/mol
LogP4.39
Rot. Bonds6

About 3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]benzaldehyde

3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]benzaldehyde (PubChem CID 1342243) has the molecular formula C17H17IO3 and a molecular weight of 396.22 g/mol. Its IUPAC name is 3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]benzaldehyde
PubChem CID1342243
Molecular FormulaC17H17IO3
Molecular Weight396.22 g/mol
Exact Mass396.02
IUPAC Name3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]benzaldehyde
SMILESCCOc1cc(C=O)cc(I)c1OCc1cccc(C)c1
InChIInChI=1S/C17H17IO3/c1-3-20-16-9-14(10-19)8-15(18)17(16)21-11-13-6-4-5-12(2)7-13/h4-10H,3,11H2,1-2H3
InChIKeySKYVIVSXKUFMCY-UHFFFAOYSA-N
XLogP4.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.22
LogP ≤ 54.39
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-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde
CID 4770099
(5E)-3-(3-chlorophenyl)-5-[[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126071686
4-butoxy-3-ethoxy-5-iodobenzaldehyde
CID 19617695
3-[(4-formyl-2-iodo-6-methoxyphenoxy)methyl]benzonitrile
CID 28690184
N-(2,5-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine
CID 126223793
(Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]prop-2-enamide
CID 124534705
1-cyclohexyl-5-[[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 5032565
3-ethoxy-4-iodo-5-phenylmethoxybenzaldehyde
CID 22636947
3-ethoxy-5-iodo-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 165353614
(5E)-2-(2,3-dichlorophenyl)imino-5-[[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137079889
2-[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
CID 132592985
3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]benzaldehyde
CID 882013

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]benzaldehyde?
The IUPAC name of 3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]benzaldehyde (CID 1342243) is 3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]benzaldehyde?
The canonical SMILES for 3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]benzaldehyde is CCOc1cc(C=O)cc(I)c1OCc1cccc(C)c1.
What is the InChIKey of 3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]benzaldehyde?
The InChIKey is SKYVIVSXKUFMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IO3/c1-3-20-16-9-14(10-19)8-15(18)17(16)21-11-13-6-4-5-12(2)7-13/h4-10H,3,11H2,1-2H3.
What are the key properties of 3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]benzaldehyde?
3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]benzaldehyde has a molecular weight of 396.22 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 1342243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).