(2S)-2-hydroxy-2-(2-iodophenyl)acetic acid

C16H14I2O6 — CID 139199353

IUPAC(2S)-2-hydroxy-2-(2-iodophenyl)acetic acid
SMILESO=C(O)[C@@H](O)c1ccccc1I.O=C(O)[C@@H](O)c1ccccc1I
InChIInChI=1S/2C8H7IO3/c2*9-6-4-2-1-3-5(6)7(10)8(11)12/h2*1-4,7,10H,(H,11,12)/t2*7-/m00/s1
InChIKeyKYNVUIJCKKLWJC-VGMFFHCQSA-N
MW556.09 g/mol
LogP2.82
Rot. Bonds4

About (2S)-2-hydroxy-2-(2-iodophenyl)acetic acid

(2S)-2-hydroxy-2-(2-iodophenyl)acetic acid (PubChem CID 139199353) has the molecular formula C16H14I2O6 and a molecular weight of 556.09 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-(2-iodophenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-(2-iodophenyl)acetic acid
PubChem CID139199353
Molecular FormulaC16H14I2O6
Molecular Weight556.09 g/mol
Exact Mass555.89
IUPAC Name(2S)-2-hydroxy-2-(2-iodophenyl)acetic acid
SMILESO=C(O)[C@@H](O)c1ccccc1I.O=C(O)[C@@H](O)c1ccccc1I
InChIInChI=1S/2C8H7IO3/c2*9-6-4-2-1-3-5(6)7(10)8(11)12/h2*1-4,7,10H,(H,11,12)/t2*7-/m00/s1
InChIKeyKYNVUIJCKKLWJC-VGMFFHCQSA-N
XLogP2.82
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.09
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-iodophenyl)propanedioic acid
CID 172796761
methyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate
CID 134694409
2-(2-hydrazinyl-3-iodophenyl)-2-hydroxyacetic acid
CID 130882882
CID 70117604
CID 70117604
potassium;hydride;(2R)-2-hydroxy-2-(2-hydroxyphenyl)acetic acid
CID 173256865
sodium;hydride;2-hydroxy-2-(2-hydroxyphenyl)acetic acid
CID 173256812
2-(2-chlorophenyl)-2-hydroxyacetic acid;copper
CID 174872808
2-[2-(3-chloropropyl)-3-iodophenyl]-2-hydroxyacetic acid
CID 134657421
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-hydroxy-2-(2-hydroxy-4,5-diiodophenyl)acetic acid
CID 118839559
2-chloro-2-(2-iodophenyl)acetyl chloride
CID 150251257

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-(2-iodophenyl)acetic acid?
The IUPAC name of (2S)-2-hydroxy-2-(2-iodophenyl)acetic acid (CID 139199353) is (2S)-2-hydroxy-2-(2-iodophenyl)acetic acid.
What is the SMILES notation for (2S)-2-hydroxy-2-(2-iodophenyl)acetic acid?
The canonical SMILES for (2S)-2-hydroxy-2-(2-iodophenyl)acetic acid is O=C(O)[C@@H](O)c1ccccc1I.O=C(O)[C@@H](O)c1ccccc1I.
What is the InChIKey of (2S)-2-hydroxy-2-(2-iodophenyl)acetic acid?
The InChIKey is KYNVUIJCKKLWJC-VGMFFHCQSA-N. The full InChI is InChI=1S/2C8H7IO3/c2*9-6-4-2-1-3-5(6)7(10)8(11)12/h2*1-4,7,10H,(H,11,12)/t2*7-/m00/s1.
What are the key properties of (2S)-2-hydroxy-2-(2-iodophenyl)acetic acid?
(2S)-2-hydroxy-2-(2-iodophenyl)acetic acid has a molecular weight of 556.09 g/mol, XLogP of 2.82, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-(2-iodophenyl)acetic acid is sourced from PubChem (CID 139199353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).