(2S)-2-iodo-2-phenylacetic acid

C8H7IO2 — CID 142067651

IUPAC(2S)-2-iodo-2-phenylacetic acid
SMILESO=C(O)[C@@H](I)c1ccccc1
InChIInChI=1S/C8H7IO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)/t7-/m0/s1
InChIKeyZGPRANYVOMBLFL-ZETCQYMHSA-N
MW262.05 g/mol
LogP2.25
Rot. Bonds2

About (2S)-2-iodo-2-phenylacetic acid

(2S)-2-iodo-2-phenylacetic acid (PubChem CID 142067651) has the molecular formula C8H7IO2 and a molecular weight of 262.05 g/mol. Its IUPAC name is (2S)-2-iodo-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-iodo-2-phenylacetic acid
PubChem CID142067651
Molecular FormulaC8H7IO2
Molecular Weight262.05 g/mol
Exact Mass261.95
IUPAC Name(2S)-2-iodo-2-phenylacetic acid
SMILESO=C(O)[C@@H](I)c1ccccc1
InChIInChI=1S/C8H7IO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)/t7-/m0/s1
InChIKeyZGPRANYVOMBLFL-ZETCQYMHSA-N
XLogP2.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.05
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-1-phenylpropan-2-one
CID 11322912
(2R)-2-(4-hydroxyphenyl)-2-iodoacetic acid
CID 155461000
2-[iodo(phenyl)methyl]prop-2-enoic acid
CID 20574614
magnesium;hydride;2-hydroxy-2-phenylacetic acid
CID 173047691
(2S)-2-amino-3-iodo-3-phenylpropanoic acid
CID 69344520
2-phenylpropanedioic acid;dihydrochloride
CID 68766431
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
calcium;magnesium;hydride;(2R)-2-hydroxy-2-phenylacetic acid
CID 174709694
2-iodo-2-pyridin-2-ylacetic acid
CID 143887294
(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 69001631
barium(2+);2,2-diphenylacetic acid;hydride
CID 174636718

Frequently Asked Questions

What is the IUPAC name of (2S)-2-iodo-2-phenylacetic acid?
The IUPAC name of (2S)-2-iodo-2-phenylacetic acid (CID 142067651) is (2S)-2-iodo-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-iodo-2-phenylacetic acid?
The canonical SMILES for (2S)-2-iodo-2-phenylacetic acid is O=C(O)[C@@H](I)c1ccccc1.
What is the InChIKey of (2S)-2-iodo-2-phenylacetic acid?
The InChIKey is ZGPRANYVOMBLFL-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H7IO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-2-iodo-2-phenylacetic acid?
(2S)-2-iodo-2-phenylacetic acid has a molecular weight of 262.05 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-iodo-2-phenylacetic acid is sourced from PubChem (CID 142067651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).