ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate

C10H11ClO3 — CID 93047913

IUPACethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
SMILESCCOC(=O)[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClO3/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9,12H,2H2,1H3/t9-/m0/s1
InChIKeyNMKKKUVPOGMEJL-VIFPVBQESA-N
MW214.65 g/mol
LogP1.94
Rot. Bonds3

About ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate

ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate (PubChem CID 93047913) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
PubChem CID93047913
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Nameethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
SMILESCCOC(=O)[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClO3/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9,12H,2H2,1H3/t9-/m0/s1
InChIKeyNMKKKUVPOGMEJL-VIFPVBQESA-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

ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate
CID 12717588
ethyl 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetate
CID 81166639
ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate
CID 102298817
ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate
CID 31882254
ethyl (2S)-2-amino-2-(4-chlorophenyl)acetate
CID 31882253
ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate
CID 94376499
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate
CID 94365189
ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate
CID 62215366
ethyl (Z)-2-[(S)-(4-chlorophenyl)-hydroxymethyl]-3-iodoprop-2-enoate
CID 11372031
ethyl (2S)-2-(4-tert-butylphenyl)-2-hydroxyacetate
CID 94376486
ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate
CID 63648295

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate?
The IUPAC name of ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate (CID 93047913) is ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate is CCOC(=O)[C@@H](O)c1ccc(Cl)cc1.
What is the InChIKey of ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate?
The InChIKey is NMKKKUVPOGMEJL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11ClO3/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9,12H,2H2,1H3/t9-/m0/s1.
What are the key properties of ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate?
ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate 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 ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate is sourced from PubChem (CID 93047913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).