ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate

C11H13ClO4 — CID 102298817

IUPACethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate
SMILESCCOC(=O)[C@H](O)[C@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO4/c1-2-16-11(15)10(14)9(13)7-3-5-8(12)6-4-7/h3-6,9-10,13-14H,2H2,1H3/t9-,10-/m1/s1
InChIKeyMZINLBZIKGJGRG-NXEZZACHSA-N
MW244.67 g/mol
LogP1.30
Rot. Bonds4

About ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate

ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate (PubChem CID 102298817) has the molecular formula C11H13ClO4 and a molecular weight of 244.67 g/mol. Its IUPAC name is ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Nameethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate
PubChem CID102298817
Molecular FormulaC11H13ClO4
Molecular Weight244.67 g/mol
Exact Mass244.05
IUPAC Nameethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate
SMILESCCOC(=O)[C@H](O)[C@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO4/c1-2-16-11(15)10(14)9(13)7-3-5-8(12)6-4-7/h3-6,9-10,13-14H,2H2,1H3/t9-,10-/m1/s1
InChIKeyMZINLBZIKGJGRG-NXEZZACHSA-N
XLogP1.30
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.67
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(4-aminophenyl)-2,3-dihydroxypropanoate
CID 171865608
ethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate
CID 171865553
ethyl (2S,3S)-3-(4-chlorophenyl)-2-fluoro-3-hydroxypropanoate
CID 11276671
ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
CID 93047913
ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate
CID 31882254
ethyl (2S)-2-amino-2-(4-chlorophenyl)acetate
CID 31882253
ethyl 3-(2-chloropyrimidin-5-yl)-2,3-dihydroxypropanoate
CID 118141576
ethyl 2,3-dihydroxy-3-[4-(methylcarbamoyl)phenyl]propanoate
CID 171866592
ethyl (2S,3R)-2,3-dihydroxy-3-(4-nitrophenyl)propanoate
CID 11149499
ethyl 2,3-dihydroxy-3-[4-(2,2,2-trifluoroacetyl)phenyl]propanoate
CID 171866964
ethyl 3-(5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171865586
ethyl 2,3-dihydroxy-3-(4-hydroxy-3-methylphenyl)propanoate
CID 171865724

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate?
The IUPAC name of ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate (CID 102298817) is ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate.
What is the SMILES notation for ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate?
The canonical SMILES for ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate is CCOC(=O)[C@H](O)[C@H](O)c1ccc(Cl)cc1.
What is the InChIKey of ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate?
The InChIKey is MZINLBZIKGJGRG-NXEZZACHSA-N. The full InChI is InChI=1S/C11H13ClO4/c1-2-16-11(15)10(14)9(13)7-3-5-8(12)6-4-7/h3-6,9-10,13-14H,2H2,1H3/t9-,10-/m1/s1.
What are the key properties of ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate?
ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate has a molecular weight of 244.67 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 102298817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).