1,3-Dichloro-2-{2-[4-(iodomethyl)phenoxy]ethoxy}-5-methylbenzene

HCID 58488443

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cc(Cl)c(OCCOc2ccc(CI)cc2)c(Cl)c1
InChIKey: MINRGHVZBKMGNA-UHFFFAOYSA-N
Molecular formula: C16H15Cl2IO2
Average molar mass: 437.1 g/mol
Monoisotopic mass: 435.94938

Names & identifiers

Preferred name: 1,3-Dichloro-2-{2-[4-(iodomethyl)phenoxy]ethoxy}-5-methylbenzene
IUPAC: 1,3-dichloro-2-[2-[4-(iodomethyl)phenoxy]ethoxy]-5-methylbenzene

Names & synonyms

SCHEMBL663105MINRGHVZBKMGNA-UHFFFAOYSA-N1,3-dichloro-2-{2-[4-(iodomethyl)phenoxy]ethoxy}-5-methylbenzene

Database identifiers

PubChem CID: 58488443

Properties

Computed structural properties

XLogP: 6.2
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 21
Formal charge: 0
Complexity: 286

Related reactions

10 records

New reaction record

HRID 135635As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 316426As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 561865As productuspto-grants-2011_11

HRID 834278As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1120109As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 2194862As productuspto-grants-2012_12

HRID 2194883As reactantuspto-grants-2012_12

HRID 2194891As reactantuspto-grants-2012_12

Compound notes

Loading…