[(2R)-2-acetyloxy-2-(2-chlorophenyl)ethyl] acetate

C12H13ClO4 — CID 53355739

IUPAC[(2R)-2-acetyloxy-2-(2-chlorophenyl)ethyl] acetate
SMILESCC(=O)OC[C@H](OC(C)=O)c1ccccc1Cl
InChIInChI=1S/C12H13ClO4/c1-8(14)16-7-12(17-9(2)15)10-5-3-4-6-11(10)13/h3-6,12H,7H2,1-2H3/t12-/m0/s1
InChIKeyMGLSDBAGQSEVAR-LBPRGKRZSA-N
MW256.68 g/mol
LogP2.51
Rot. Bonds4

About [(2R)-2-acetyloxy-2-(2-chlorophenyl)ethyl] acetate

[(2R)-2-acetyloxy-2-(2-chlorophenyl)ethyl] acetate (PubChem CID 53355739) has the molecular formula C12H13ClO4 and a molecular weight of 256.68 g/mol. Its IUPAC name is [(2R)-2-acetyloxy-2-(2-chlorophenyl)ethyl] acetate.

Molecular Properties

Compound Name[(2R)-2-acetyloxy-2-(2-chlorophenyl)ethyl] acetate
PubChem CID53355739
Molecular FormulaC12H13ClO4
Molecular Weight256.68 g/mol
Exact Mass256.05
IUPAC Name[(2R)-2-acetyloxy-2-(2-chlorophenyl)ethyl] acetate
SMILESCC(=O)OC[C@H](OC(C)=O)c1ccccc1Cl
InChIInChI=1S/C12H13ClO4/c1-8(14)16-7-12(17-9(2)15)10-5-3-4-6-11(10)13/h3-6,12H,7H2,1-2H3/t12-/m0/s1
InChIKeyMGLSDBAGQSEVAR-LBPRGKRZSA-N
XLogP2.51
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.68
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] acetate
CID 59063100
1-(2-chlorophenyl)pentyl acetate
CID 141200843
acetyloxymethyl 2-(1,2-diacetyloxyethyl)benzoate
CID 123486670
[(2S)-3-carbamoyloxy-2-(2-chlorophenyl)propyl] acetate
CID 67573538
[2-carbamoyloxy-2-(2-chlorophenyl)ethoxy]carbonylazanium
CID 147632611
[2-amino-1-(2-chlorophenyl)ethyl] ethaneperoxoate;hydrochloride
CID 146368556
[2-acetyloxy-2-(4-phenylphenyl)ethyl] acetate
CID 135063866
ethyl 3-acetyloxy-3-(2-chlorophenyl)-2-phenylpropanoate
CID 139713807
[(2R)-2-acetyloxy-2-(4-methylphenyl)ethyl] acetate
CID 135064978
[1-(2-chlorophenyl)-2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl] acetate
CID 75251449
[(1R)-1-(2-chlorophenyl)ethyl] carbamate
CID 89448731
4-amino-4-(2-chlorophenyl)butan-2-one
CID 134204644

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-acetyloxy-2-(2-chlorophenyl)ethyl] acetate?
The IUPAC name of [(2R)-2-acetyloxy-2-(2-chlorophenyl)ethyl] acetate (CID 53355739) is [(2R)-2-acetyloxy-2-(2-chlorophenyl)ethyl] acetate.
What is the SMILES notation for [(2R)-2-acetyloxy-2-(2-chlorophenyl)ethyl] acetate?
The canonical SMILES for [(2R)-2-acetyloxy-2-(2-chlorophenyl)ethyl] acetate is CC(=O)OC[C@H](OC(C)=O)c1ccccc1Cl.
What is the InChIKey of [(2R)-2-acetyloxy-2-(2-chlorophenyl)ethyl] acetate?
The InChIKey is MGLSDBAGQSEVAR-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H13ClO4/c1-8(14)16-7-12(17-9(2)15)10-5-3-4-6-11(10)13/h3-6,12H,7H2,1-2H3/t12-/m0/s1.
What are the key properties of [(2R)-2-acetyloxy-2-(2-chlorophenyl)ethyl] acetate?
[(2R)-2-acetyloxy-2-(2-chlorophenyl)ethyl] acetate has a molecular weight of 256.68 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-acetyloxy-2-(2-chlorophenyl)ethyl] acetate is sourced from PubChem (CID 53355739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).