Benzene, 2-ethoxy-4-iodo-1-(1-methylethoxy)-

HCID 58788976

Notes Reactions

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Basic information

CAS: 900174-05-2
Standard SMILES: CCOc1cc(I)ccc1OC(C)C
InChIKey: IUPVTHLHUYVTME-UHFFFAOYSA-N
Molecular formula: C11H15IO2
Average molar mass: 306.14 g/mol
Monoisotopic mass: 306.01168

Names & identifiers

Preferred name: Benzene, 2-ethoxy-4-iodo-1-(1-methylethoxy)-
IUPAC: 2-ethoxy-4-iodo-1-propan-2-yloxybenzene

Names & synonyms

900174-05-2Benzene, 2-ethoxy-4-iodo-1-(1-methylethoxy)-2-Ethoxy4-iodo-1-isopropoxybenzene2-ethoxy-4-iodo-1-isopropoxybenzeneSCHEMBL2850840DTXSID30730060IUPVTHLHUYVTME-UHFFFAOYSA-NDB-1120342-Ethoxy-4-iodo-1-[(propan-2-yl)oxy]benzene

Database identifiers

CAS: 900174-05-2
PubChem CID: 58788976
DTXSID: DTXSID30730060

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 161

Related reactions

3 records

New reaction record

HRID 1126448As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1438097As productuspto-grants-2009_11

HRID 1438098As reactantuspto-grants-2009_11

Compound notes

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