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[2-[Di(propan-2-yloxy)phosphorylmethoxy]-3-iodopropoxy]methylbenzene

HCID 19088431
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)OP(=O)(COC(CI)COCc1ccccc1)OC(C)C
InChIKey
FNXNBPYOSRMUIG-UHFFFAOYSA-N
Molecular formula
C17H28IO5P
Average molar mass
470.3 g/mol
Monoisotopic mass
470.07191

Names & identifiers

Preferred name
[2-[Di(propan-2-yloxy)phosphorylmethoxy]-3-iodopropoxy]methylbenzene
IUPAC
[2-[di(propan-2-yloxy)phosphorylmethoxy]-3-iodopropoxy]methylbenzene

Database identifiers

PubChem CID
19088431

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
54 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
12
Heavy atoms
24
Formal charge
0
Complexity
358

Related reactions

2 records
New reaction record
HRID 201353 reaction equation
HRID 201353As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 941224 reaction equation
HRID 941224As productValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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