tert-butyl (4-iodophenyl) carbonate

C11H13IO3 — CID 22345872

IUPACtert-butyl (4-iodophenyl) carbonate
SMILESCC(C)(C)OC(=O)Oc1ccc(I)cc1
InChIInChI=1S/C11H13IO3/c1-11(2,3)15-10(13)14-9-6-4-8(12)5-7-9/h4-7H,1-3H3
InChIKeyHMOLHGFPUMUUHQ-UHFFFAOYSA-N
MW320.13 g/mol
LogP3.61
Rot. Bonds1

About tert-butyl (4-iodophenyl) carbonate

tert-butyl (4-iodophenyl) carbonate (PubChem CID 22345872) has the molecular formula C11H13IO3 and a molecular weight of 320.13 g/mol. Its IUPAC name is tert-butyl (4-iodophenyl) carbonate.

Molecular Properties

Compound Nametert-butyl (4-iodophenyl) carbonate
PubChem CID22345872
Molecular FormulaC11H13IO3
Molecular Weight320.13 g/mol
Exact Mass319.99
IUPAC Nametert-butyl (4-iodophenyl) carbonate
SMILESCC(C)(C)OC(=O)Oc1ccc(I)cc1
InChIInChI=1S/C11H13IO3/c1-11(2,3)15-10(13)14-9-6-4-8(12)5-7-9/h4-7H,1-3H3
InChIKeyHMOLHGFPUMUUHQ-UHFFFAOYSA-N
XLogP3.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (4-hydroxyphenyl) carbonate
CID 22345869
tert-butyl (4-fluorophenyl) carbonate
CID 67162624
tert-butyl (4-methylsulfanylphenyl) carbonate
CID 15044335
[4-[2-[4-[1,1-bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]ethyl]phenyl]propan-2-yl]phenyl] tert-butyl carbonate
CID 59938996
tert-butyl 2-(4-iodophenoxy)propanoate
CID 66338461
tert-butyl [4-[2-(4-methylphenyl)propan-2-yl]phenyl] carbonate
CID 20610670
tert-butyl [4-[2-methyl-1-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propyl]phenyl] carbonate
CID 173242244
[4-(4-anilinoanilino)phenyl] tert-butyl carbonate
CID 19763252
tert-butyl (4-nitrophenyl) carbonate;ethane
CID 143603292
dimethyl (E)-2,3-bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]but-2-enedioate
CID 73054651
tert-butyl (4-butylphenyl) carbonate
CID 22625486
[4-(2-bromo-2-methylpropanoyl)oxyphenyl]-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-phenylsulfanium
CID 156683866

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4-iodophenyl) carbonate?
The IUPAC name of tert-butyl (4-iodophenyl) carbonate (CID 22345872) is tert-butyl (4-iodophenyl) carbonate.
What is the SMILES notation for tert-butyl (4-iodophenyl) carbonate?
The canonical SMILES for tert-butyl (4-iodophenyl) carbonate is CC(C)(C)OC(=O)Oc1ccc(I)cc1.
What is the InChIKey of tert-butyl (4-iodophenyl) carbonate?
The InChIKey is HMOLHGFPUMUUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IO3/c1-11(2,3)15-10(13)14-9-6-4-8(12)5-7-9/h4-7H,1-3H3.
What are the key properties of tert-butyl (4-iodophenyl) carbonate?
tert-butyl (4-iodophenyl) carbonate has a molecular weight of 320.13 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4-iodophenyl) carbonate is sourced from PubChem (CID 22345872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).