tert-butyl 2-(2-iodophenyl)-2-methylpropanoate

C14H19IO2 — CID 54286755

IUPACtert-butyl 2-(2-iodophenyl)-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)c1ccccc1I
InChIInChI=1S/C14H19IO2/c1-13(2,3)17-12(16)14(4,5)10-8-6-7-9-11(10)15/h6-9H,1-5H3
InChIKeyRUQMWACDLPBTEV-UHFFFAOYSA-N
MW346.21 g/mol
LogP3.91
Rot. Bonds2

About tert-butyl 2-(2-iodophenyl)-2-methylpropanoate

tert-butyl 2-(2-iodophenyl)-2-methylpropanoate (PubChem CID 54286755) has the molecular formula C14H19IO2 and a molecular weight of 346.21 g/mol. Its IUPAC name is tert-butyl 2-(2-iodophenyl)-2-methylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-(2-iodophenyl)-2-methylpropanoate
PubChem CID54286755
Molecular FormulaC14H19IO2
Molecular Weight346.21 g/mol
Exact Mass346.04
IUPAC Nametert-butyl 2-(2-iodophenyl)-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)c1ccccc1I
InChIInChI=1S/C14H19IO2/c1-13(2,3)17-12(16)14(4,5)10-8-6-7-9-11(10)15/h6-9H,1-5H3
InChIKeyRUQMWACDLPBTEV-UHFFFAOYSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-iodophenyl)propan-2-olate
CID 140938486
1-tert-butyl-2-iodobenzene
CID 637957
tert-butyl 2,2,2-triphenylacetate;hydrogen peroxide
CID 174664507
3-(2-iodophenyl)-2,4-dimethylpentan-3-ol
CID 11974474
2-(2-iodophenyl)-2-methylpropanal
CID 117046923
[(3S)-3-hydroxy-3-(2-iodophenyl)-2-methylhexan-2-yl] carbamate
CID 174741050
tert-butyl (E)-3-(2-tert-butylphenyl)prop-2-enoate
CID 89085119
tert-butyl 2-benzoyl-3,3,3-trifluoro-2-methylpropanoate
CID 102326768
benzoic acid;tert-butyl 2-amino-2-methylpropanoate
CID 175229994
4,4,4-trifluoro-2-(2-iodophenyl)butan-2-ol
CID 156763954
tert-butyl 2-methyl-2-(4-oxo-3H-phthalazin-1-yl)propanoate
CID 134914638
(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-[[2-(trifluoromethyl)phenyl]methyl]propanoic acid
CID 151721030

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-iodophenyl)-2-methylpropanoate?
The IUPAC name of tert-butyl 2-(2-iodophenyl)-2-methylpropanoate (CID 54286755) is tert-butyl 2-(2-iodophenyl)-2-methylpropanoate.
What is the SMILES notation for tert-butyl 2-(2-iodophenyl)-2-methylpropanoate?
The canonical SMILES for tert-butyl 2-(2-iodophenyl)-2-methylpropanoate is CC(C)(C)OC(=O)C(C)(C)c1ccccc1I.
What is the InChIKey of tert-butyl 2-(2-iodophenyl)-2-methylpropanoate?
The InChIKey is RUQMWACDLPBTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IO2/c1-13(2,3)17-12(16)14(4,5)10-8-6-7-9-11(10)15/h6-9H,1-5H3.
What are the key properties of tert-butyl 2-(2-iodophenyl)-2-methylpropanoate?
tert-butyl 2-(2-iodophenyl)-2-methylpropanoate has a molecular weight of 346.21 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-iodophenyl)-2-methylpropanoate is sourced from PubChem (CID 54286755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).