ethyl (2R)-2-(4-iodophenyl)propanoate

C11H13IO2 — CID 129387500

IUPACethyl (2R)-2-(4-iodophenyl)propanoate
SMILESCCOC(=O)[C@H](C)c1ccc(I)cc1
InChIInChI=1S/C11H13IO2/c1-3-14-11(13)8(2)9-4-6-10(12)7-5-9/h4-8H,3H2,1-2H3/t8-/m1/s1
InChIKeyHRVASSPVJDKKMN-MRVPVSSYSA-N
MW304.13 g/mol
LogP2.96
Rot. Bonds3

About ethyl (2R)-2-(4-iodophenyl)propanoate

ethyl (2R)-2-(4-iodophenyl)propanoate (PubChem CID 129387500) has the molecular formula C11H13IO2 and a molecular weight of 304.13 g/mol. Its IUPAC name is ethyl (2R)-2-(4-iodophenyl)propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(4-iodophenyl)propanoate
PubChem CID129387500
Molecular FormulaC11H13IO2
Molecular Weight304.13 g/mol
Exact Mass304.00
IUPAC Nameethyl (2R)-2-(4-iodophenyl)propanoate
SMILESCCOC(=O)[C@H](C)c1ccc(I)cc1
InChIInChI=1S/C11H13IO2/c1-3-14-11(13)8(2)9-4-6-10(12)7-5-9/h4-8H,3H2,1-2H3/t8-/m1/s1
InChIKeyHRVASSPVJDKKMN-MRVPVSSYSA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl (2R)-2-(4-iodophenyl)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

ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148
ethyl 4-(4-iodophenyl)-2-methylpentanoate
CID 59863319
ethyl (2S)-2-[4-(trimethyl-λ4-sulfanyl)phenyl]propanoate
CID 146342720
ethyl 2-(3,4-dihydroxyphenyl)propanoate
CID 66702388
bromo-[2-ethoxy-1-(4-iodophenyl)-2-oxoethyl]mercury
CID 71355763
ethyl 2-(4-iodophenoxy)propanoate
CID 17024636
ethyl 2-(4-methylsulfonyloxyphenyl)propanoate
CID 87441895
ethyl 2-[2-(4-hydroxyphenyl)propanoyloxy]-3-oxobutanoate
CID 21326470
pentyl 2-(4-methylphenyl)propanoate
CID 155662339
ethyl (2R)-2-(6-chloro-3-pyridinyl)propanoate
CID 124564561
ethyl (2R)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate
CID 124636495

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(4-iodophenyl)propanoate?
The IUPAC name of ethyl (2R)-2-(4-iodophenyl)propanoate (CID 129387500) is ethyl (2R)-2-(4-iodophenyl)propanoate.
What is the SMILES notation for ethyl (2R)-2-(4-iodophenyl)propanoate?
The canonical SMILES for ethyl (2R)-2-(4-iodophenyl)propanoate is CCOC(=O)[C@H](C)c1ccc(I)cc1.
What is the InChIKey of ethyl (2R)-2-(4-iodophenyl)propanoate?
The InChIKey is HRVASSPVJDKKMN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13IO2/c1-3-14-11(13)8(2)9-4-6-10(12)7-5-9/h4-8H,3H2,1-2H3/t8-/m1/s1.
What are the key properties of ethyl (2R)-2-(4-iodophenyl)propanoate?
ethyl (2R)-2-(4-iodophenyl)propanoate has a molecular weight of 304.13 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(4-iodophenyl)propanoate is sourced from PubChem (CID 129387500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).