ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate

C12H16O4 — CID 121014752

IUPACethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate
SMILESCCOC(=O)[C@](C)(O)c1ccccc1OC
InChIInChI=1S/C12H16O4/c1-4-16-11(13)12(2,14)9-7-5-6-8-10(9)15-3/h5-8,14H,4H2,1-3H3/t12-/m1/s1
InChIKeyGIMUVIBCWSMPED-GFCCVEGCSA-N
MW224.26 g/mol
LogP1.47
Rot. Bonds4

About ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate

ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate (PubChem CID 121014752) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate
PubChem CID121014752
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Nameethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate
SMILESCCOC(=O)[C@](C)(O)c1ccccc1OC
InChIInChI=1S/C12H16O4/c1-4-16-11(13)12(2,14)9-7-5-6-8-10(9)15-3/h5-8,14H,4H2,1-3H3/t12-/m1/s1
InChIKeyGIMUVIBCWSMPED-GFCCVEGCSA-N
XLogP1.47
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 62214840
triethyl (2-methoxyphenyl)methanetricarboxylate
CID 15732418
ethyl 2-(2-methoxyphenyl)-2-(propan-2-ylamino)propanoate
CID 54918153
ethyl 2-[2-(2-methoxyphenyl)propan-2-yl]-2-methylpentanoate
CID 141377256
(3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one
CID 102236965
ethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate
CID 60997682
ethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate
CID 62399004
ethyl 3-(2-ethoxyphenyl)-2,2-difluoro-3-hydroxybutanoate
CID 62397772
ethyl 2-fluoro-2-(3-methoxy-2-methylphenyl)propanoate
CID 171559871
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
methyl 2-hydrazinyl-2-(2-methoxyphenyl)propanoate
CID 146328018
(2S)-2-(2-methoxyphenyl)butan-2-ol
CID 93303591

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate?
The IUPAC name of ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate (CID 121014752) is ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate?
The canonical SMILES for ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate is CCOC(=O)[C@](C)(O)c1ccccc1OC.
What is the InChIKey of ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate?
The InChIKey is GIMUVIBCWSMPED-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16O4/c1-4-16-11(13)12(2,14)9-7-5-6-8-10(9)15-3/h5-8,14H,4H2,1-3H3/t12-/m1/s1.
What are the key properties of ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate?
ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate has a molecular weight of 224.26 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 121014752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).