3-(2-iodoethoxy)-4-methylbenzaldehyde

C10H11IO2 — CID 86685653

IUPAC3-(2-iodoethoxy)-4-methylbenzaldehyde
SMILESCc1ccc(C=O)cc1OCCI
InChIInChI=1S/C10H11IO2/c1-8-2-3-9(7-12)6-10(8)13-5-4-11/h2-3,6-7H,4-5H2,1H3
InChIKeyRFBXOUZYOYDBMJ-UHFFFAOYSA-N
MW290.10 g/mol
LogP2.62
Rot. Bonds4

About 3-(2-iodoethoxy)-4-methylbenzaldehyde

3-(2-iodoethoxy)-4-methylbenzaldehyde (PubChem CID 86685653) has the molecular formula C10H11IO2 and a molecular weight of 290.10 g/mol. Its IUPAC name is 3-(2-iodoethoxy)-4-methylbenzaldehyde.

Molecular Properties

Compound Name3-(2-iodoethoxy)-4-methylbenzaldehyde
PubChem CID86685653
Molecular FormulaC10H11IO2
Molecular Weight290.10 g/mol
Exact Mass289.98
IUPAC Name3-(2-iodoethoxy)-4-methylbenzaldehyde
SMILESCc1ccc(C=O)cc1OCCI
InChIInChI=1S/C10H11IO2/c1-8-2-3-9(7-12)6-10(8)13-5-4-11/h2-3,6-7H,4-5H2,1H3
InChIKeyRFBXOUZYOYDBMJ-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-4-methylbenzaldehyde
CID 91636264
3-(2-cyclobutylethoxy)-4-methylbenzaldehyde
CID 106202444
4-[3-(2,5-dimethylphenoxy)propoxy]-3-methoxybenzaldehyde
CID 2264220
4-methyl-3-(4-propoxyphenoxy)benzaldehyde
CID 105405469
3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde
CID 105405428
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
4-(5-formyl-2-methylphenoxy)-3,5-dimethylbenzonitrile
CID 105405600
3-methyl-4-(2-phenoxyethoxy)benzaldehyde
CID 54794840
2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde
CID 175893461
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde
CID 104562818
3,4-di(tetradecoxy)benzaldehyde
CID 23127451
4-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 2283387

Frequently Asked Questions

What is the IUPAC name of 3-(2-iodoethoxy)-4-methylbenzaldehyde?
The IUPAC name of 3-(2-iodoethoxy)-4-methylbenzaldehyde (CID 86685653) is 3-(2-iodoethoxy)-4-methylbenzaldehyde.
What is the SMILES notation for 3-(2-iodoethoxy)-4-methylbenzaldehyde?
The canonical SMILES for 3-(2-iodoethoxy)-4-methylbenzaldehyde is Cc1ccc(C=O)cc1OCCI.
What is the InChIKey of 3-(2-iodoethoxy)-4-methylbenzaldehyde?
The InChIKey is RFBXOUZYOYDBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO2/c1-8-2-3-9(7-12)6-10(8)13-5-4-11/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 3-(2-iodoethoxy)-4-methylbenzaldehyde?
3-(2-iodoethoxy)-4-methylbenzaldehyde has a molecular weight of 290.10 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodoethoxy)-4-methylbenzaldehyde is sourced from PubChem (CID 86685653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).