ethyl (2R)-2-hydroxy-4-phenylbutanoate

C12H16O3 — CID 2733848

IUPACethyl (2R)-2-hydroxy-4-phenylbutanoate
SMILESCCOC(=O)[C@H](O)CCc1ccccc1
InChIInChI=1S/C12H16O3/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3/t11-/m1/s1
InChIKeyZJYKSSGYDPNKQS-LLVKDONJSA-N
MW208.26 g/mol
LogP1.54
Rot. Bonds5

About ethyl (2R)-2-hydroxy-4-phenylbutanoate

ethyl (2R)-2-hydroxy-4-phenylbutanoate (PubChem CID 2733848) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl (2R)-2-hydroxy-4-phenylbutanoate.

Molecular Properties

Compound Nameethyl (2R)-2-hydroxy-4-phenylbutanoate
PubChem CID2733848
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Nameethyl (2R)-2-hydroxy-4-phenylbutanoate
SMILESCCOC(=O)[C@H](O)CCc1ccccc1
InChIInChI=1S/C12H16O3/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3/t11-/m1/s1
InChIKeyZJYKSSGYDPNKQS-LLVKDONJSA-N
XLogP1.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-acetyloxy-4-phenylbutanoate;ethyl 2-hydroxy-4-phenylbutanoate
CID 161281171
methyl (2R)-2-hydroxy-4-phenylbutanoate
CID 10878023
ethyl (2S)-4-(4-chlorophenyl)-2-hydroxybutanoate
CID 101370684
ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate
CID 102317664
ethyl 2-ethenylidene-3-hydroxy-5-phenylpentanoate
CID 142707061
ethyl (1-hydroxy-3-phenylpropyl) carbonate
CID 70451495
ethyl 2-hydroxy-6-phenylmethoxyhexanoate
CID 141379360
4-O-benzyl 1-O-ethyl (2S)-2-hydroxybutanedioate
CID 102323442
ethyl 4-phenyl-2-(propylamino)butanoate
CID 62880935
ethyl 3-oxo-4-phenyl-2-(2-phenylethyl)butanoate
CID 139793390
diethyl 2-(4-phenylbutyl)propanedioate
CID 10661321
ethyl 2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-4-phenylbutanoate
CID 57110707

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-hydroxy-4-phenylbutanoate?
The IUPAC name of ethyl (2R)-2-hydroxy-4-phenylbutanoate (CID 2733848) is ethyl (2R)-2-hydroxy-4-phenylbutanoate.
What is the SMILES notation for ethyl (2R)-2-hydroxy-4-phenylbutanoate?
The canonical SMILES for ethyl (2R)-2-hydroxy-4-phenylbutanoate is CCOC(=O)[C@H](O)CCc1ccccc1.
What is the InChIKey of ethyl (2R)-2-hydroxy-4-phenylbutanoate?
The InChIKey is ZJYKSSGYDPNKQS-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16O3/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3/t11-/m1/s1.
What are the key properties of ethyl (2R)-2-hydroxy-4-phenylbutanoate?
ethyl (2R)-2-hydroxy-4-phenylbutanoate has a molecular weight of 208.26 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-hydroxy-4-phenylbutanoate is sourced from PubChem (CID 2733848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).