(2-chloro-2-oxo-1-phenylethyl) benzoate

C15H11ClO3 — CID 10659973

IUPAC(2-chloro-2-oxo-1-phenylethyl) benzoate
SMILESO=C(OC(C(=O)Cl)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H11ClO3/c16-14(17)13(11-7-3-1-4-8-11)19-15(18)12-9-5-2-6-10-12/h1-10,13H
InChIKeyIUYOYBZKMMGJKW-UHFFFAOYSA-N
MW274.70 g/mol
LogP3.35
Rot. Bonds4

About (2-chloro-2-oxo-1-phenylethyl) benzoate

(2-chloro-2-oxo-1-phenylethyl) benzoate (PubChem CID 10659973) has the molecular formula C15H11ClO3 and a molecular weight of 274.70 g/mol. Its IUPAC name is (2-chloro-2-oxo-1-phenylethyl) benzoate.

Molecular Properties

Compound Name(2-chloro-2-oxo-1-phenylethyl) benzoate
PubChem CID10659973
Molecular FormulaC15H11ClO3
Molecular Weight274.70 g/mol
Exact Mass274.04
IUPAC Name(2-chloro-2-oxo-1-phenylethyl) benzoate
SMILESO=C(OC(C(=O)Cl)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H11ClO3/c16-14(17)13(11-7-3-1-4-8-11)19-15(18)12-9-5-2-6-10-12/h1-10,13H
InChIKeyIUYOYBZKMMGJKW-UHFFFAOYSA-N
XLogP3.35
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate
CID 11747638
(2-oxo-2-phenoxy-1-phenylethyl) benzoate
CID 57212874
[(1S)-2-oxo-1,2-diphenylethyl] 4-chlorobenzoate
CID 2360889
[(1R)-2-chloro-2-oxo-1-phenylethyl] 2,2-dichloroacetate
CID 14579293
[(1R)-2-chloro-2-oxo-1-phenylethyl] 2,2-dimethylpropanoate
CID 86649875
[hydroxy(phenyl)methyl] benzoate
CID 22715526
1-phenylethyl benzoate
CID 174857426
[(2S)-1-chloro-3-methyl-1-oxobutan-2-yl] benzoate
CID 134892781
[(1S)-1-(3-chlorophenyl)-2-oxo-2-phenylethyl] benzoate
CID 132540788
[(1S)-2-oxo-1,2-diphenylethyl] 4-(dimethylamino)benzoate
CID 1296728
[(1S)-2-methoxy-2-oxo-1-phenylethyl] 4-carbamoylbenzoate
CID 30929559
2-benzoyloxy-2-chloroacetic acid
CID 173354746

Frequently Asked Questions

What is the IUPAC name of (2-chloro-2-oxo-1-phenylethyl) benzoate?
The IUPAC name of (2-chloro-2-oxo-1-phenylethyl) benzoate (CID 10659973) is (2-chloro-2-oxo-1-phenylethyl) benzoate.
What is the SMILES notation for (2-chloro-2-oxo-1-phenylethyl) benzoate?
The canonical SMILES for (2-chloro-2-oxo-1-phenylethyl) benzoate is O=C(OC(C(=O)Cl)c1ccccc1)c1ccccc1.
What is the InChIKey of (2-chloro-2-oxo-1-phenylethyl) benzoate?
The InChIKey is IUYOYBZKMMGJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO3/c16-14(17)13(11-7-3-1-4-8-11)19-15(18)12-9-5-2-6-10-12/h1-10,13H.
What are the key properties of (2-chloro-2-oxo-1-phenylethyl) benzoate?
(2-chloro-2-oxo-1-phenylethyl) benzoate has a molecular weight of 274.70 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-2-oxo-1-phenylethyl) benzoate is sourced from PubChem (CID 10659973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).