[acetyloxy-(2,4-dichlorophenyl)-lambda3-iodanyl] acetate

C10H9Cl2IO4 — CID 15355743

IUPAC[acetyloxy-(2,4-dichlorophenyl)-lambda3-iodanyl] acetate
SMILESCC(=O)OI(OC(C)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2IO4/c1-6(14)16-13(17-7(2)15)10-4-3-8(11)5-9(10)12/h3-5H,1-2H3
InChIKeySDMDTQGHHFLORY-UHFFFAOYSA-N
MW390.99 g/mol
LogP3.63
Rot. Bonds3

About [acetyloxy-(2,4-dichlorophenyl)-lambda3-iodanyl] acetate

[acetyloxy-(2,4-dichlorophenyl)-lambda3-iodanyl] acetate (PubChem CID 15355743) has the molecular formula C10H9Cl2IO4 and a molecular weight of 390.99 g/mol. Its IUPAC name is [acetyloxy-(2,4-dichlorophenyl)-lambda3-iodanyl] acetate.

Molecular Properties

Compound Name[acetyloxy-(2,4-dichlorophenyl)-lambda3-iodanyl] acetate
PubChem CID15355743
Molecular FormulaC10H9Cl2IO4
Molecular Weight390.99 g/mol
Exact Mass389.89
IUPAC Name[acetyloxy-(2,4-dichlorophenyl)-lambda3-iodanyl] acetate
SMILESCC(=O)OI(OC(C)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2IO4/c1-6(14)16-13(17-7(2)15)10-4-3-8(11)5-9(10)12/h3-5H,1-2H3
InChIKeySDMDTQGHHFLORY-UHFFFAOYSA-N
XLogP3.63
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.99
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[acetyloxy-(2,4,6-trichlorophenyl)-lambda3-iodanyl] acetate
CID 15355744
3-(2,4-dichlorophenoxy)but-2-enoyl chloride
CID 139622060
3-[(S)-(2,4-dichlorophenyl)-hydroxymethyl]but-3-en-2-one
CID 102374717
(2,5-dichlorophenyl) ethaneperoxoate
CID 87566974
3-(2,4-dichlorophenoxy)but-2-enoic acid
CID 139622057
prop-1-en-2-yl 2,4-dichlorobenzoate
CID 89323884
1-(2,5-dichlorophenyl)ethanone;ethane
CID 145081107
acetyl chloride;4-chloro-1,2-dimethylbenzene
CID 174808009
1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]ethanone
CID 63532509
(4-chloro-2-methylphenyl)methyl acetate
CID 91715961
2-(2,4-dichlorophenyl)propanoyl chloride
CID 14408749
carboxyiminocarbamic acid;2,4-dichloro-1-methylbenzene
CID 118954379

Frequently Asked Questions

What is the IUPAC name of [acetyloxy-(2,4-dichlorophenyl)-lambda3-iodanyl] acetate?
The IUPAC name of [acetyloxy-(2,4-dichlorophenyl)-lambda3-iodanyl] acetate (CID 15355743) is [acetyloxy-(2,4-dichlorophenyl)-lambda3-iodanyl] acetate.
What is the SMILES notation for [acetyloxy-(2,4-dichlorophenyl)-lambda3-iodanyl] acetate?
The canonical SMILES for [acetyloxy-(2,4-dichlorophenyl)-lambda3-iodanyl] acetate is CC(=O)OI(OC(C)=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of [acetyloxy-(2,4-dichlorophenyl)-lambda3-iodanyl] acetate?
The InChIKey is SDMDTQGHHFLORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2IO4/c1-6(14)16-13(17-7(2)15)10-4-3-8(11)5-9(10)12/h3-5H,1-2H3.
What are the key properties of [acetyloxy-(2,4-dichlorophenyl)-lambda3-iodanyl] acetate?
[acetyloxy-(2,4-dichlorophenyl)-lambda3-iodanyl] acetate has a molecular weight of 390.99 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-(2,4-dichlorophenyl)-lambda3-iodanyl] acetate is sourced from PubChem (CID 15355743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).