methyl 3-(5-iodo-2-methoxyphenyl)propanoate

C11H13IO3 — CID 82552102

IUPACmethyl 3-(5-iodo-2-methoxyphenyl)propanoate
SMILESCOC(=O)CCc1cc(I)ccc1OC
InChIInChI=1S/C11H13IO3/c1-14-10-5-4-9(12)7-8(10)3-6-11(13)15-2/h4-5,7H,3,6H2,1-2H3
InChIKeyLVUGRIUIFFIZIU-UHFFFAOYSA-N
MW320.13 g/mol
LogP2.41
Rot. Bonds4

About methyl 3-(5-iodo-2-methoxyphenyl)propanoate

methyl 3-(5-iodo-2-methoxyphenyl)propanoate (PubChem CID 82552102) has the molecular formula C11H13IO3 and a molecular weight of 320.13 g/mol. Its IUPAC name is methyl 3-(5-iodo-2-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(5-iodo-2-methoxyphenyl)propanoate
PubChem CID82552102
Molecular FormulaC11H13IO3
Molecular Weight320.13 g/mol
Exact Mass319.99
IUPAC Namemethyl 3-(5-iodo-2-methoxyphenyl)propanoate
SMILESCOC(=O)CCc1cc(I)ccc1OC
InChIInChI=1S/C11H13IO3/c1-14-10-5-4-9(12)7-8(10)3-6-11(13)15-2/h4-5,7H,3,6H2,1-2H3
InChIKeyLVUGRIUIFFIZIU-UHFFFAOYSA-N
XLogP2.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 3-(5-iodo-2-methoxyphenyl)propanoate 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

methyl 3-[4-iodo-2-(trifluoromethylsulfanyl)phenyl]propanoate
CID 134638610
ethyl 5-iodo-2-(3-methoxy-3-oxopropyl)benzoate
CID 134644712
N-[(5-iodo-2-methoxyphenyl)methyl]ethanamine
CID 82552100
methyl 3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate
CID 12862928
methyl 3-(6-iodo-2-methylquinolin-4-yl)propanoate
CID 82578245
methyl 3-[2-(2-methoxy-5-methylphenyl)ethylamino]propanoate
CID 115232481
methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate
CID 116927465
methyl 5-(2-methoxy-5-propan-2-ylphenyl)-3-oxopentanoate
CID 54410073
methyl 4-(2-methoxy-4,5-dimethylphenyl)butanoate
CID 82350341
(4-iodo-2-methoxyphenyl) propanoate
CID 129282160
methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate
CID 116927426
N-[(5-iodo-2-methoxyphenyl)methyl]-2-methoxy-4-methylbenzamide
CID 102034384

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-iodo-2-methoxyphenyl)propanoate?
The IUPAC name of methyl 3-(5-iodo-2-methoxyphenyl)propanoate (CID 82552102) is methyl 3-(5-iodo-2-methoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(5-iodo-2-methoxyphenyl)propanoate?
The canonical SMILES for methyl 3-(5-iodo-2-methoxyphenyl)propanoate is COC(=O)CCc1cc(I)ccc1OC.
What is the InChIKey of methyl 3-(5-iodo-2-methoxyphenyl)propanoate?
The InChIKey is LVUGRIUIFFIZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IO3/c1-14-10-5-4-9(12)7-8(10)3-6-11(13)15-2/h4-5,7H,3,6H2,1-2H3.
What are the key properties of methyl 3-(5-iodo-2-methoxyphenyl)propanoate?
methyl 3-(5-iodo-2-methoxyphenyl)propanoate has a molecular weight of 320.13 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-iodo-2-methoxyphenyl)propanoate is sourced from PubChem (CID 82552102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).