2-(2-iodophenyl)ethyl 2-methylprop-2-enoate;hydroiodide

C12H14I2O2 — CID 172855401

IUPAC2-(2-iodophenyl)ethyl 2-methylprop-2-enoate;hydroiodide
SMILESC=C(C)C(=O)OCCc1ccccc1I.I
InChIInChI=1S/C12H13IO2.HI/c1-9(2)12(14)15-8-7-10-5-3-4-6-11(10)13;/h3-6H,1,7-8H2,2H3;1H
InChIKeyYQDAEZKKZBEHQG-UHFFFAOYSA-N
MW444.05 g/mol
LogP3.57
Rot. Bonds4

About 2-(2-iodophenyl)ethyl 2-methylprop-2-enoate;hydroiodide

2-(2-iodophenyl)ethyl 2-methylprop-2-enoate;hydroiodide (PubChem CID 172855401) has the molecular formula C12H14I2O2 and a molecular weight of 444.05 g/mol. Its IUPAC name is 2-(2-iodophenyl)ethyl 2-methylprop-2-enoate;hydroiodide.

Molecular Properties

Compound Name2-(2-iodophenyl)ethyl 2-methylprop-2-enoate;hydroiodide
PubChem CID172855401
Molecular FormulaC12H14I2O2
Molecular Weight444.05 g/mol
Exact Mass443.91
IUPAC Name2-(2-iodophenyl)ethyl 2-methylprop-2-enoate;hydroiodide
SMILESC=C(C)C(=O)OCCc1ccccc1I.I
InChIInChI=1S/C12H13IO2.HI/c1-9(2)12(14)15-8-7-10-5-3-4-6-11(10)13;/h3-6H,1,7-8H2,2H3;1H
InChIKeyYQDAEZKKZBEHQG-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.05
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(2-iodophenyl)ethyl 2-methylprop-2-enoate;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]sulfonylphenyl]ethyl 2-methylprop-2-enoate
CID 67831254
2-[2-(2-methylprop-2-enoyloxy)ethyl]benzoic acid;phosphoric acid
CID 118541677
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
(2-ethylphenyl)methyl 2-methylprop-2-enoate
CID 22748890
[2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate
CID 66870935
2-[2-[(2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)oxy]phenyl]ethyl 2-methylprop-2-enoate
CID 139900698
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-diphenylsilyloxyethyl 2-methylprop-2-enoate
CID 174754381
4-phenylbutyl 2-methylprop-2-enoate
CID 22507477
CID 175978198
CID 175978198
2-(2-phenylbenzotriazol-4-yl)ethyl 2-methylprop-2-enoate
CID 154277498
3-(2-trimethoxysilylphenyl)propyl 2-methylprop-2-enoate
CID 174994672

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodophenyl)ethyl 2-methylprop-2-enoate;hydroiodide?
The IUPAC name of 2-(2-iodophenyl)ethyl 2-methylprop-2-enoate;hydroiodide (CID 172855401) is 2-(2-iodophenyl)ethyl 2-methylprop-2-enoate;hydroiodide.
What is the SMILES notation for 2-(2-iodophenyl)ethyl 2-methylprop-2-enoate;hydroiodide?
The canonical SMILES for 2-(2-iodophenyl)ethyl 2-methylprop-2-enoate;hydroiodide is C=C(C)C(=O)OCCc1ccccc1I.I.
What is the InChIKey of 2-(2-iodophenyl)ethyl 2-methylprop-2-enoate;hydroiodide?
The InChIKey is YQDAEZKKZBEHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IO2.HI/c1-9(2)12(14)15-8-7-10-5-3-4-6-11(10)13;/h3-6H,1,7-8H2,2H3;1H.
What are the key properties of 2-(2-iodophenyl)ethyl 2-methylprop-2-enoate;hydroiodide?
2-(2-iodophenyl)ethyl 2-methylprop-2-enoate;hydroiodide has a molecular weight of 444.05 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenyl)ethyl 2-methylprop-2-enoate;hydroiodide is sourced from PubChem (CID 172855401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).