[(1S)-2-chloro-1-(4-chlorophenyl)ethyl] acetate

C10H10Cl2O2 — CID 102028117

IUPAC[(1S)-2-chloro-1-(4-chlorophenyl)ethyl] acetate
SMILESCC(=O)O[C@H](CCl)c1ccc(Cl)cc1
InChIInChI=1S/C10H10Cl2O2/c1-7(13)14-10(6-11)8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3/t10-/m1/s1
InChIKeyVFYLWVQGJOVEHK-SNVBAGLBSA-N
MW233.09 g/mol
LogP3.18
Rot. Bonds3

About [(1S)-2-chloro-1-(4-chlorophenyl)ethyl] acetate

[(1S)-2-chloro-1-(4-chlorophenyl)ethyl] acetate (PubChem CID 102028117) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is [(1S)-2-chloro-1-(4-chlorophenyl)ethyl] acetate.

Molecular Properties

Compound Name[(1S)-2-chloro-1-(4-chlorophenyl)ethyl] acetate
PubChem CID102028117
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name[(1S)-2-chloro-1-(4-chlorophenyl)ethyl] acetate
SMILESCC(=O)O[C@H](CCl)c1ccc(Cl)cc1
InChIInChI=1S/C10H10Cl2O2/c1-7(13)14-10(6-11)8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3/t10-/m1/s1
InChIKeyVFYLWVQGJOVEHK-SNVBAGLBSA-N
XLogP3.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-2-acetamido-1-(4-chlorophenyl)ethyl] acetate
CID 14954517
[1-(4-chlorophenyl)-2-(diaminomethylideneamino)ethyl] acetate
CID 139620384
(2R)-2-acetyloxy-2-(4-chlorophenyl)acetic acid
CID 86332935
[1-(4-chlorophenyl)-2-nitropropyl] acetate
CID 11043413
4-bromo-4-(4-chlorophenyl)butan-2-one
CID 69177509
[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl] carbamate
CID 175035515
[(3R,4S)-3,4-diacetyloxy-4-(4-chlorophenyl)-2-oxobutyl] acetate
CID 25228257
[(4-chlorophenyl)-[methyl(nitroso)amino]methyl] acetate
CID 101035806
[4-[(1R)-1-acetyloxypropyl]phenyl] acetate
CID 42612647
[(2R)-2-acetyloxy-2-(4-methylphenyl)ethyl] acetate
CID 135064978
2-acetyl-5-(4-chlorophenyl)-5-methoxypentanoic acid
CID 57317935
[(1R)-2-chloro-1-phenylethyl] N-methylcarbamate
CID 11975171

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-chloro-1-(4-chlorophenyl)ethyl] acetate?
The IUPAC name of [(1S)-2-chloro-1-(4-chlorophenyl)ethyl] acetate (CID 102028117) is [(1S)-2-chloro-1-(4-chlorophenyl)ethyl] acetate.
What is the SMILES notation for [(1S)-2-chloro-1-(4-chlorophenyl)ethyl] acetate?
The canonical SMILES for [(1S)-2-chloro-1-(4-chlorophenyl)ethyl] acetate is CC(=O)O[C@H](CCl)c1ccc(Cl)cc1.
What is the InChIKey of [(1S)-2-chloro-1-(4-chlorophenyl)ethyl] acetate?
The InChIKey is VFYLWVQGJOVEHK-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-7(13)14-10(6-11)8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3/t10-/m1/s1.
What are the key properties of [(1S)-2-chloro-1-(4-chlorophenyl)ethyl] acetate?
[(1S)-2-chloro-1-(4-chlorophenyl)ethyl] acetate has a molecular weight of 233.09 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-chloro-1-(4-chlorophenyl)ethyl] acetate is sourced from PubChem (CID 102028117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).