[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] acetate

C10H11ClO3 — CID 59063100

IUPAC[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] acetate
SMILESCC(=O)OC[C@@H](O)c1ccccc1Cl
InChIInChI=1S/C10H11ClO3/c1-7(12)14-6-10(13)8-4-2-3-5-9(8)11/h2-5,10,13H,6H2,1H3/t10-/m1/s1
InChIKeyHOMZTESEYKGYET-SNVBAGLBSA-N
MW214.65 g/mol
LogP1.94
Rot. Bonds3

About [(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] acetate

[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] acetate (PubChem CID 59063100) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is [(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] acetate.

Molecular Properties

Compound Name[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] acetate
PubChem CID59063100
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] acetate
SMILESCC(=O)OC[C@@H](O)c1ccccc1Cl
InChIInChI=1S/C10H11ClO3/c1-7(12)14-6-10(13)8-4-2-3-5-9(8)11/h2-5,10,13H,6H2,1H3/t10-/m1/s1
InChIKeyHOMZTESEYKGYET-SNVBAGLBSA-N
XLogP1.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-acetyloxy-2-(2-chlorophenyl)ethyl] acetate
CID 53355739
[(2S)-3-carbamoyloxy-2-(2-chlorophenyl)propyl] acetate
CID 67573538
1-chloro-4-(2-chlorophenyl)-4-hydroxybutan-2-one
CID 86094254
(3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 11975499
(1R)-2-amino-1-(2-chlorophenyl)ethanol;hydrochloride
CID 70700860
4-[2-(2-chlorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide
CID 109416264
[2-(2-chlorophenyl)-3-hydroxybutyl] carbamate
CID 174774368
4-amino-4-(2-chlorophenyl)butan-2-one
CID 134204644
[2-amino-1-(2-chlorophenyl)ethyl] ethaneperoxoate;hydrochloride
CID 146368556
carbamoyl N-[2-(2-chlorophenyl)-2-hydroxyethyl]carbamate
CID 23292408
triethyl 2-(2-chlorophenyl)ethane-1,1,2-tricarboxylate
CID 102417450
methyl 2-(2-chlorophenyl)-3-methoxypropanoate
CID 117244467

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] acetate?
The IUPAC name of [(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] acetate (CID 59063100) is [(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] acetate.
What is the SMILES notation for [(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] acetate?
The canonical SMILES for [(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] acetate is CC(=O)OC[C@@H](O)c1ccccc1Cl.
What is the InChIKey of [(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] acetate?
The InChIKey is HOMZTESEYKGYET-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-7(12)14-6-10(13)8-4-2-3-5-9(8)11/h2-5,10,13H,6H2,1H3/t10-/m1/s1.
What are the key properties of [(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] acetate?
[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] acetate has a molecular weight of 214.65 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] acetate is sourced from PubChem (CID 59063100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).