[(1S)-1-(3-chlorophenyl)-2-oxo-2-phenylethyl] benzoate

C21H15ClO3 — CID 132540788

IUPAC[(1S)-1-(3-chlorophenyl)-2-oxo-2-phenylethyl] benzoate
SMILESO=C(O[C@H](C(=O)c1ccccc1)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C21H15ClO3/c22-18-13-7-12-17(14-18)20(19(23)15-8-3-1-4-9-15)25-21(24)16-10-5-2-6-11-16/h1-14,20H/t20-/m0/s1
InChIKeyGHWVWLNVTBJCOG-FQEVSTJZSA-N
MW350.80 g/mol
LogP5.12
Rot. Bonds5

About [(1S)-1-(3-chlorophenyl)-2-oxo-2-phenylethyl] benzoate

[(1S)-1-(3-chlorophenyl)-2-oxo-2-phenylethyl] benzoate (PubChem CID 132540788) has the molecular formula C21H15ClO3 and a molecular weight of 350.80 g/mol. Its IUPAC name is [(1S)-1-(3-chlorophenyl)-2-oxo-2-phenylethyl] benzoate.

Molecular Properties

Compound Name[(1S)-1-(3-chlorophenyl)-2-oxo-2-phenylethyl] benzoate
PubChem CID132540788
Molecular FormulaC21H15ClO3
Molecular Weight350.80 g/mol
Exact Mass350.07
IUPAC Name[(1S)-1-(3-chlorophenyl)-2-oxo-2-phenylethyl] benzoate
SMILESO=C(O[C@H](C(=O)c1ccccc1)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C21H15ClO3/c22-18-13-7-12-17(14-18)20(19(23)15-8-3-1-4-9-15)25-21(24)16-10-5-2-6-11-16/h1-14,20H/t20-/m0/s1
InChIKeyGHWVWLNVTBJCOG-FQEVSTJZSA-N
XLogP5.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.80
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-2-oxo-1,2-diphenylethyl] 4-chlorobenzoate
CID 2360889
bis[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] benzene-1,3-dicarboxylate
CID 126186651
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-[4-[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethoxy]carbonylphenoxy]benzoate
CID 126188262
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 5-chloro-2-hydroxybenzoate
CID 26478361
[1,2-bis(4-chlorophenyl)-2-oxoethyl] 4-chlorobenzoate
CID 11362139
(2-oxo-1,2-diphenylethyl) 3,4-dihydroxybenzoate
CID 23738197
2-O-[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 6-O-[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] pyridine-2,6-dicarboxylate
CID 99661934
(2-chloro-2-oxo-1-phenylethyl) benzoate
CID 10659973
(2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate
CID 23855920
[(1S)-2-oxo-1,2-diphenylethyl] 4-(dimethylamino)benzoate
CID 1296728
(2-oxo-1,2-diphenylethyl) 4-(trifluoromethoxy)benzoate
CID 4159962
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-chlorobenzoate
CID 7697298

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(3-chlorophenyl)-2-oxo-2-phenylethyl] benzoate?
The IUPAC name of [(1S)-1-(3-chlorophenyl)-2-oxo-2-phenylethyl] benzoate (CID 132540788) is [(1S)-1-(3-chlorophenyl)-2-oxo-2-phenylethyl] benzoate.
What is the SMILES notation for [(1S)-1-(3-chlorophenyl)-2-oxo-2-phenylethyl] benzoate?
The canonical SMILES for [(1S)-1-(3-chlorophenyl)-2-oxo-2-phenylethyl] benzoate is O=C(O[C@H](C(=O)c1ccccc1)c1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of [(1S)-1-(3-chlorophenyl)-2-oxo-2-phenylethyl] benzoate?
The InChIKey is GHWVWLNVTBJCOG-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H15ClO3/c22-18-13-7-12-17(14-18)20(19(23)15-8-3-1-4-9-15)25-21(24)16-10-5-2-6-11-16/h1-14,20H/t20-/m0/s1.
What are the key properties of [(1S)-1-(3-chlorophenyl)-2-oxo-2-phenylethyl] benzoate?
[(1S)-1-(3-chlorophenyl)-2-oxo-2-phenylethyl] benzoate has a molecular weight of 350.80 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(3-chlorophenyl)-2-oxo-2-phenylethyl] benzoate is sourced from PubChem (CID 132540788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).