methyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate

C9H9IO3 — CID 134694409

IUPACmethyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate
SMILESCOC(=O)[C@H](O)c1ccccc1I
InChIInChI=1S/C9H9IO3/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h2-5,8,11H,1H3/t8-/m1/s1
InChIKeyJOPMBFWRZNPGEZ-MRVPVSSYSA-N
MW292.07 g/mol
LogP1.50
Rot. Bonds2

About methyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate

methyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate (PubChem CID 134694409) has the molecular formula C9H9IO3 and a molecular weight of 292.07 g/mol. Its IUPAC name is methyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate
PubChem CID134694409
Molecular FormulaC9H9IO3
Molecular Weight292.07 g/mol
Exact Mass291.96
IUPAC Namemethyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate
SMILESCOC(=O)[C@H](O)c1ccccc1I
InChIInChI=1S/C9H9IO3/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h2-5,8,11H,1H3/t8-/m1/s1
InChIKeyJOPMBFWRZNPGEZ-MRVPVSSYSA-N
XLogP1.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.07
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-amino-2-(2-iodophenyl)acetate;hydrochloride
CID 171230140
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
(2S)-2-hydroxy-2-(2-iodophenyl)acetic acid
CID 139199353
methyl 2-hydroxy-2-[2-(2-hydroxypropan-2-yl)phenyl]acetate
CID 117108610
methyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate
CID 117287616
methyl (2S)-2-hydroxy-2-(2-nitrophenyl)acetate
CID 7054379
methyl (3R)-3-amino-3-(2-iodophenyl)propanoate;hydrochloride
CID 171249924
methyl (3S)-3-amino-3-(2-iodophenyl)propanoate;hydrochloride
CID 171243191
methyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 54430210
methyl 2-[2-(2-fluoropropyl)phenyl]-2-hydroxyacetate
CID 117325267
methyl 2-(3-chloro-2-methylphenyl)-2-hydroxyacetate
CID 117305843
methyl 2-hydroxy-2-(2-methyl-3-pyridinyl)acetate
CID 57017613

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate?
The IUPAC name of methyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate (CID 134694409) is methyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate.
What is the SMILES notation for methyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate?
The canonical SMILES for methyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate is COC(=O)[C@H](O)c1ccccc1I.
What is the InChIKey of methyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate?
The InChIKey is JOPMBFWRZNPGEZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9IO3/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h2-5,8,11H,1H3/t8-/m1/s1.
What are the key properties of methyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate?
methyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate has a molecular weight of 292.07 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate is sourced from PubChem (CID 134694409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).