(2R)-2-hydroxy-3-oxo-2-phenylpropanoyl chloride

C9H7ClO3 — CID 142176021

IUPAC(2R)-2-hydroxy-3-oxo-2-phenylpropanoyl chloride
SMILESO=C[C@@](O)(C(=O)Cl)c1ccccc1
InChIInChI=1S/C9H7ClO3/c10-8(12)9(13,6-11)7-4-2-1-3-5-7/h1-6,13H/t9-/m0/s1
InChIKeyZQECMYVSXBHIRJ-VIFPVBQESA-N
MW198.61 g/mol
LogP0.84
Rot. Bonds3

About (2R)-2-hydroxy-3-oxo-2-phenylpropanoyl chloride

(2R)-2-hydroxy-3-oxo-2-phenylpropanoyl chloride (PubChem CID 142176021) has the molecular formula C9H7ClO3 and a molecular weight of 198.61 g/mol. Its IUPAC name is (2R)-2-hydroxy-3-oxo-2-phenylpropanoyl chloride.

Molecular Properties

Compound Name(2R)-2-hydroxy-3-oxo-2-phenylpropanoyl chloride
PubChem CID142176021
Molecular FormulaC9H7ClO3
Molecular Weight198.61 g/mol
Exact Mass198.01
IUPAC Name(2R)-2-hydroxy-3-oxo-2-phenylpropanoyl chloride
SMILESO=C[C@@](O)(C(=O)Cl)c1ccccc1
InChIInChI=1S/C9H7ClO3/c10-8(12)9(13,6-11)7-4-2-1-3-5-7/h1-6,13H/t9-/m0/s1
InChIKeyZQECMYVSXBHIRJ-VIFPVBQESA-N
XLogP0.84
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-3-oxo-2,3-diphenylpropanal
CID 87459670
2,2-dibromo-2-phenylacetyl chloride
CID 56990356
2-phenyl-2,2-bis(sulfanyl)acetaldehyde
CID 90879722
2,2-diphenylpropanedial
CID 15324204
(2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336800
(2R,3R)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336799
2-hydroxy-3-methyl-2-phenylbutanal
CID 12859212
4-[hydroxy(diphenyl)methyl]benzamide
CID 125464922
2-(1-hydroxy-2-oxo-1-phenylethyl)benzoic acid
CID 139999915
dichloro(phenyl)methanol
CID 25493
2-chloro-4-oxo-2-phenylbutanoic acid
CID 151405289
(2S)-2-hydroxy-4,4-dimethyl-2-phenylpentan-3-one
CID 13275946

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-3-oxo-2-phenylpropanoyl chloride?
The IUPAC name of (2R)-2-hydroxy-3-oxo-2-phenylpropanoyl chloride (CID 142176021) is (2R)-2-hydroxy-3-oxo-2-phenylpropanoyl chloride.
What is the SMILES notation for (2R)-2-hydroxy-3-oxo-2-phenylpropanoyl chloride?
The canonical SMILES for (2R)-2-hydroxy-3-oxo-2-phenylpropanoyl chloride is O=C[C@@](O)(C(=O)Cl)c1ccccc1.
What is the InChIKey of (2R)-2-hydroxy-3-oxo-2-phenylpropanoyl chloride?
The InChIKey is ZQECMYVSXBHIRJ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H7ClO3/c10-8(12)9(13,6-11)7-4-2-1-3-5-7/h1-6,13H/t9-/m0/s1.
What are the key properties of (2R)-2-hydroxy-3-oxo-2-phenylpropanoyl chloride?
(2R)-2-hydroxy-3-oxo-2-phenylpropanoyl chloride has a molecular weight of 198.61 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-3-oxo-2-phenylpropanoyl chloride is sourced from PubChem (CID 142176021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).