(3-iodophenyl) (2R)-2-hydroxypropanoate

C9H9IO3 — CID 130670103

IUPAC(3-iodophenyl) (2R)-2-hydroxypropanoate
SMILESC[C@@H](O)C(=O)Oc1cccc(I)c1
InChIInChI=1S/C9H9IO3/c1-6(11)9(12)13-8-4-2-3-7(10)5-8/h2-6,11H,1H3/t6-/m1/s1
InChIKeyYOFUJTTXNYKIKE-ZCFIWIBFSA-N
MW292.07 g/mol
LogP1.58
Rot. Bonds2

About (3-iodophenyl) (2R)-2-hydroxypropanoate

(3-iodophenyl) (2R)-2-hydroxypropanoate (PubChem CID 130670103) has the molecular formula C9H9IO3 and a molecular weight of 292.07 g/mol. Its IUPAC name is (3-iodophenyl) (2R)-2-hydroxypropanoate.

Molecular Properties

Compound Name(3-iodophenyl) (2R)-2-hydroxypropanoate
PubChem CID130670103
Molecular FormulaC9H9IO3
Molecular Weight292.07 g/mol
Exact Mass291.96
IUPAC Name(3-iodophenyl) (2R)-2-hydroxypropanoate
SMILESC[C@@H](O)C(=O)Oc1cccc(I)c1
InChIInChI=1S/C9H9IO3/c1-6(11)9(12)13-8-4-2-3-7(10)5-8/h2-6,11H,1H3/t6-/m1/s1
InChIKeyYOFUJTTXNYKIKE-ZCFIWIBFSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-iodophenyl) carbonochloridate
CID 24749160
(3-iodophenyl) butanoate
CID 613173
3-(3-iodophenoxy)-2-methylpropanamide
CID 61400057
[3,4-bis(2-hydroxypropanoyloxy)phenyl] 2-hydroxypropanoate;ethane
CID 143197438
ethane;1-(3-iodophenyl)-2-methylpropan-1-one
CID 91347191
(3-acetylphenyl) (2S)-2-aminopropanoate
CID 121364925
(4-pyridin-2-ylphenyl) 2-hydroxypropanoate
CID 117051698
(1S)-1-[2-(3-iodophenoxy)phenyl]ethanol
CID 78941728
(3-benzoylphenyl) (2S)-2-aminopropanoate
CID 18635238
(1R)-1-[2-(3-iodophenoxy)phenyl]ethanol
CID 55183774
bis(3-hydroxyphenyl) 2,3-dihydroxybutanedioate
CID 66768995
(2S)-2-hydroxy-N-(3-iodophenyl)propanamide
CID 130653575

Frequently Asked Questions

What is the IUPAC name of (3-iodophenyl) (2R)-2-hydroxypropanoate?
The IUPAC name of (3-iodophenyl) (2R)-2-hydroxypropanoate (CID 130670103) is (3-iodophenyl) (2R)-2-hydroxypropanoate.
What is the SMILES notation for (3-iodophenyl) (2R)-2-hydroxypropanoate?
The canonical SMILES for (3-iodophenyl) (2R)-2-hydroxypropanoate is C[C@@H](O)C(=O)Oc1cccc(I)c1.
What is the InChIKey of (3-iodophenyl) (2R)-2-hydroxypropanoate?
The InChIKey is YOFUJTTXNYKIKE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H9IO3/c1-6(11)9(12)13-8-4-2-3-7(10)5-8/h2-6,11H,1H3/t6-/m1/s1.
What are the key properties of (3-iodophenyl) (2R)-2-hydroxypropanoate?
(3-iodophenyl) (2R)-2-hydroxypropanoate has a molecular weight of 292.07 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodophenyl) (2R)-2-hydroxypropanoate is sourced from PubChem (CID 130670103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).