[(1R)-1-phenylethyl] 2-chloroacetate

C10H11ClO2 — CID 14113253

IUPAC[(1R)-1-phenylethyl] 2-chloroacetate
SMILESC[C@@H](OC(=O)CCl)c1ccccc1
InChIInChI=1S/C10H11ClO2/c1-8(13-10(12)7-11)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/t8-/m1/s1
InChIKeyWLNYYBUZSZGLBC-MRVPVSSYSA-N
MW198.65 g/mol
LogP2.53
Rot. Bonds3

About [(1R)-1-phenylethyl] 2-chloroacetate

[(1R)-1-phenylethyl] 2-chloroacetate (PubChem CID 14113253) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is [(1R)-1-phenylethyl] 2-chloroacetate.

Molecular Properties

Compound Name[(1R)-1-phenylethyl] 2-chloroacetate
PubChem CID14113253
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name[(1R)-1-phenylethyl] 2-chloroacetate
SMILESC[C@@H](OC(=O)CCl)c1ccccc1
InChIInChI=1S/C10H11ClO2/c1-8(13-10(12)7-11)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/t8-/m1/s1
InChIKeyWLNYYBUZSZGLBC-MRVPVSSYSA-N
XLogP2.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.53
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)-1-phenylethyl] 2-aminoacetate
CID 92978574
ethanol;1-phenylethyl propanoate
CID 175279617
[(1S)-1-phenylethyl] 2-phenylacetate
CID 70824875
methane;1-phenylethyl butanoate
CID 175131064
[(1S)-1-phenylethyl] 3-phenylpropanoate
CID 102211488
1-phenylethyl 4-(propan-2-ylamino)butanoate
CID 61278056
1-phenylethyl 3-anilinopropanoate
CID 61277472
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
1-phenylethyl butanoate;1-phenylethyl propanoate
CID 174922545
1-phenylethyl 4-(tert-butylamino)butanoate
CID 160511213
1-chloroethyl 1-phenylethyl carbonate
CID 119090813
[(1S)-1-phenylethyl] 2-methyl-3-oxobutanoate
CID 11746142

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-phenylethyl] 2-chloroacetate?
The IUPAC name of [(1R)-1-phenylethyl] 2-chloroacetate (CID 14113253) is [(1R)-1-phenylethyl] 2-chloroacetate.
What is the SMILES notation for [(1R)-1-phenylethyl] 2-chloroacetate?
The canonical SMILES for [(1R)-1-phenylethyl] 2-chloroacetate is C[C@@H](OC(=O)CCl)c1ccccc1.
What is the InChIKey of [(1R)-1-phenylethyl] 2-chloroacetate?
The InChIKey is WLNYYBUZSZGLBC-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-8(13-10(12)7-11)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/t8-/m1/s1.
What are the key properties of [(1R)-1-phenylethyl] 2-chloroacetate?
[(1R)-1-phenylethyl] 2-chloroacetate has a molecular weight of 198.65 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phenylethyl] 2-chloroacetate is sourced from PubChem (CID 14113253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).