[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,2-diphenylacetate

C23H19ClO3 — CID 7749903

IUPAC[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,2-diphenylacetate
SMILESC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H19ClO3/c1-16(22(25)19-12-14-20(24)15-13-19)27-23(26)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16,21H,1H3/t16-/m0/s1
InChIKeyOICAITQINNAROK-INIZCTEOSA-N
MW378.86 g/mol
LogP5.29
Rot. Bonds6

About [(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,2-diphenylacetate

[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,2-diphenylacetate (PubChem CID 7749903) has the molecular formula C23H19ClO3 and a molecular weight of 378.86 g/mol. Its IUPAC name is [(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,2-diphenylacetate
PubChem CID7749903
Molecular FormulaC23H19ClO3
Molecular Weight378.86 g/mol
Exact Mass378.10
IUPAC Name[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,2-diphenylacetate
SMILESC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H19ClO3/c1-16(22(25)19-12-14-20(24)15-13-19)27-23(26)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16,21H,1H3/t16-/m0/s1
InChIKeyOICAITQINNAROK-INIZCTEOSA-N
XLogP5.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.86
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-chlorophenyl)-1-oxopropan-2-yl] (2S)-2-benzamido-3-methylbutanoate
CID 16564578
(2R)-1-(4-chlorophenyl)-2-phenylpropan-1-one
CID 86308998
(1-oxo-1-phenylpropan-2-yl) 2-[4-(4-chlorophenoxy)phenoxy]propanoate
CID 70588424
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8521665
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8521664
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate
CID 7860673
[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611
(2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one
CID 94165642
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-bromobenzoate
CID 7476787
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7889617
(2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one
CID 891501
[1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 16560185

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,2-diphenylacetate?
The IUPAC name of [(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,2-diphenylacetate (CID 7749903) is [(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,2-diphenylacetate.
What is the SMILES notation for [(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,2-diphenylacetate?
The canonical SMILES for [(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,2-diphenylacetate is C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of [(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,2-diphenylacetate?
The InChIKey is OICAITQINNAROK-INIZCTEOSA-N. The full InChI is InChI=1S/C23H19ClO3/c1-16(22(25)19-12-14-20(24)15-13-19)27-23(26)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16,21H,1H3/t16-/m0/s1.
What are the key properties of [(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,2-diphenylacetate?
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,2-diphenylacetate has a molecular weight of 378.86 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,2-diphenylacetate is sourced from PubChem (CID 7749903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).