[acetyloxy-(4-hydroxyphenyl)-λ3-iodanyl] acetate

C10H11IO5 — CID 154601304

IUPAC[acetyloxy-(4-hydroxyphenyl)-λ3-iodanyl] acetate
SMILESCC(=O)OI(OC(C)=O)c1ccc(O)cc1
InChIInChI=1S/C10H11IO5/c1-7(12)15-11(16-8(2)13)9-3-5-10(14)6-4-9/h3-6,14H,1-2H3
InChIKeyOPRGYGYOUQDEIC-UHFFFAOYSA-N
MW338.10 g/mol
LogP2.02
Rot. Bonds3

About [acetyloxy-(4-hydroxyphenyl)-λ3-iodanyl] acetate

[acetyloxy-(4-hydroxyphenyl)-λ3-iodanyl] acetate (PubChem CID 154601304) has the molecular formula C10H11IO5 and a molecular weight of 338.10 g/mol. Its IUPAC name is [acetyloxy-(4-hydroxyphenyl)-λ3-iodanyl] acetate.

Molecular Properties

Compound Name[acetyloxy-(4-hydroxyphenyl)-λ3-iodanyl] acetate
PubChem CID154601304
Molecular FormulaC10H11IO5
Molecular Weight338.10 g/mol
Exact Mass337.97
IUPAC Name[acetyloxy-(4-hydroxyphenyl)-λ3-iodanyl] acetate
SMILESCC(=O)OI(OC(C)=O)c1ccc(O)cc1
InChIInChI=1S/C10H11IO5/c1-7(12)15-11(16-8(2)13)9-3-5-10(14)6-4-9/h3-6,14H,1-2H3
InChIKeyOPRGYGYOUQDEIC-UHFFFAOYSA-N
XLogP2.02
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.10
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(4-hydroxyphenyl)-(2-methylprop-2-enoyloxy)-λ3-iodanyl] 2-methylprop-2-enoate
CID 142377177
[acetyloxy-[4-[tris[4-(diacetyloxy-λ3-iodanyl)phenyl]methyl]phenyl]-λ3-iodanyl] acetate
CID 11320826
[acetyloxy-[4-(bromomethyl)phenyl]-λ3-iodanyl] acetate
CID 121218050
[acetyloxy(phenyl)-λ3-iodanyl] acetate;ethane;iodobenzene
CID 159602441
[acetyloxy(phenyl)-λ3-iodanyl] acetate;methylimino(phenyl)-λ3-iodane
CID 160814180
[acetyloxy-(2,4,6-trichlorophenyl)-lambda3-iodanyl] acetate
CID 15355744
[4-[1,2,2-tris(4-hydroxyphenyl)ethyl]phenyl] acetate
CID 139697360
benzene-1,4-diol;pentane-2,4-dione
CID 66906799
1-(4-hydroxyphenyl)(211C)ethanone
CID 177408736
[2-(4-hydroxyphenyl)-2-methylpropyl] acetate
CID 139774569
bis(benzene-1,4-diol);carbonic acid
CID 68999082
benzene;ethane;methyl acetate;phenol
CID 162170522

Frequently Asked Questions

What is the IUPAC name of [acetyloxy-(4-hydroxyphenyl)-λ3-iodanyl] acetate?
The IUPAC name of [acetyloxy-(4-hydroxyphenyl)-λ3-iodanyl] acetate (CID 154601304) is [acetyloxy-(4-hydroxyphenyl)-λ3-iodanyl] acetate.
What is the SMILES notation for [acetyloxy-(4-hydroxyphenyl)-λ3-iodanyl] acetate?
The canonical SMILES for [acetyloxy-(4-hydroxyphenyl)-λ3-iodanyl] acetate is CC(=O)OI(OC(C)=O)c1ccc(O)cc1.
What is the InChIKey of [acetyloxy-(4-hydroxyphenyl)-λ3-iodanyl] acetate?
The InChIKey is OPRGYGYOUQDEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO5/c1-7(12)15-11(16-8(2)13)9-3-5-10(14)6-4-9/h3-6,14H,1-2H3.
What are the key properties of [acetyloxy-(4-hydroxyphenyl)-λ3-iodanyl] acetate?
[acetyloxy-(4-hydroxyphenyl)-λ3-iodanyl] acetate has a molecular weight of 338.10 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-(4-hydroxyphenyl)-λ3-iodanyl] acetate is sourced from PubChem (CID 154601304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).