3-iodo-4-(2-methoxyethoxy)benzaldehyde

C10H11IO3 — CID 169488676

IUPAC3-iodo-4-(2-methoxyethoxy)benzaldehyde
SMILESCOCCOc1ccc(C=O)cc1I
InChIInChI=1S/C10H11IO3/c1-13-4-5-14-10-3-2-8(7-12)6-9(10)11/h2-3,6-7H,4-5H2,1H3
InChIKeyKMQLFNCIVOBAQZ-UHFFFAOYSA-N
MW306.10 g/mol
LogP2.13
Rot. Bonds5

About 3-iodo-4-(2-methoxyethoxy)benzaldehyde

3-iodo-4-(2-methoxyethoxy)benzaldehyde (PubChem CID 169488676) has the molecular formula C10H11IO3 and a molecular weight of 306.10 g/mol. Its IUPAC name is 3-iodo-4-(2-methoxyethoxy)benzaldehyde.

Molecular Properties

Compound Name3-iodo-4-(2-methoxyethoxy)benzaldehyde
PubChem CID169488676
Molecular FormulaC10H11IO3
Molecular Weight306.10 g/mol
Exact Mass305.98
IUPAC Name3-iodo-4-(2-methoxyethoxy)benzaldehyde
SMILESCOCCOc1ccc(C=O)cc1I
InChIInChI=1S/C10H11IO3/c1-13-4-5-14-10-3-2-8(7-12)6-9(10)11/h2-3,6-7H,4-5H2,1H3
InChIKeyKMQLFNCIVOBAQZ-UHFFFAOYSA-N
XLogP2.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-bromo-4-(2-methoxyethoxy)benzaldehyde
CID 60698673
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde
CID 104562818
4-[3-(2-iodo-4-methylphenoxy)propoxy]-3-methoxybenzaldehyde
CID 2282969
2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde
CID 175893461
3-iodo-4-[(4-iodophenyl)methoxy]benzaldehyde
CID 21211244
3-hydroxy-4-(3-methoxypropoxy)benzaldehyde
CID 86730352
3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103179915
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
4-(3-methoxypropoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320520
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
1,4-diiodo-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 67250875
3,4-bis(methoxymethoxy)benzaldehyde
CID 11746314

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-(2-methoxyethoxy)benzaldehyde?
The IUPAC name of 3-iodo-4-(2-methoxyethoxy)benzaldehyde (CID 169488676) is 3-iodo-4-(2-methoxyethoxy)benzaldehyde.
What is the SMILES notation for 3-iodo-4-(2-methoxyethoxy)benzaldehyde?
The canonical SMILES for 3-iodo-4-(2-methoxyethoxy)benzaldehyde is COCCOc1ccc(C=O)cc1I.
What is the InChIKey of 3-iodo-4-(2-methoxyethoxy)benzaldehyde?
The InChIKey is KMQLFNCIVOBAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO3/c1-13-4-5-14-10-3-2-8(7-12)6-9(10)11/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 3-iodo-4-(2-methoxyethoxy)benzaldehyde?
3-iodo-4-(2-methoxyethoxy)benzaldehyde has a molecular weight of 306.10 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-(2-methoxyethoxy)benzaldehyde is sourced from PubChem (CID 169488676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).