ethyl (2R)-2,3-dihydroxy-2-(4-methoxyphenyl)propanoate

C12H16O5 — CID 121000481

IUPACethyl (2R)-2,3-dihydroxy-2-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)[C@](O)(CO)c1ccc(OC)cc1
InChIInChI=1S/C12H16O5/c1-3-17-11(14)12(15,8-13)9-4-6-10(16-2)7-5-9/h4-7,13,15H,3,8H2,1-2H3/t12-/m0/s1
InChIKeyQWODWZJHVWRIKZ-LBPRGKRZSA-N
MW240.25 g/mol
LogP0.44
Rot. Bonds5

About ethyl (2R)-2,3-dihydroxy-2-(4-methoxyphenyl)propanoate

ethyl (2R)-2,3-dihydroxy-2-(4-methoxyphenyl)propanoate (PubChem CID 121000481) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is ethyl (2R)-2,3-dihydroxy-2-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl (2R)-2,3-dihydroxy-2-(4-methoxyphenyl)propanoate
PubChem CID121000481
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Nameethyl (2R)-2,3-dihydroxy-2-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)[C@](O)(CO)c1ccc(OC)cc1
InChIInChI=1S/C12H16O5/c1-3-17-11(14)12(15,8-13)9-4-6-10(16-2)7-5-9/h4-7,13,15H,3,8H2,1-2H3/t12-/m0/s1
InChIKeyQWODWZJHVWRIKZ-LBPRGKRZSA-N
XLogP0.44
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-diphenylphosphoryl-2-hydroxy-2-(4-methoxyphenyl)propanoate
CID 132569331
ethyl 2-amino-2-(4-methoxyphenyl)butanoate
CID 5027941
ethyl 2,2-difluoro-3-hydroxy-3-(4-methoxyphenyl)butanoate
CID 10945637
diethyl 2-acetyloxy-2-(4-methoxyphenyl)propanedioate
CID 14066104
ethyl 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetate
CID 46220012
ethyl 2-ethylsulfanyl-2-(4-methoxyphenyl)propanoate
CID 13070543
ethyl 2-hydroxy-2-(4-hydroxyphenyl)butanoate
CID 62213944
ethyl (3R)-3-hydroxy-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate
CID 93483561
ethyl 2-(4-bromophenyl)-2-hydroxybutanoate
CID 62215036
ethyl (2R,3S)-2-hydroxy-3-(4-methoxyphenyl)-2-phenylbutanoate
CID 134955968
ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate
CID 60797164
ethyl 3-amino-2-(4-chlorophenyl)-2-hydroxypropanoate
CID 85373846

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2,3-dihydroxy-2-(4-methoxyphenyl)propanoate?
The IUPAC name of ethyl (2R)-2,3-dihydroxy-2-(4-methoxyphenyl)propanoate (CID 121000481) is ethyl (2R)-2,3-dihydroxy-2-(4-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl (2R)-2,3-dihydroxy-2-(4-methoxyphenyl)propanoate?
The canonical SMILES for ethyl (2R)-2,3-dihydroxy-2-(4-methoxyphenyl)propanoate is CCOC(=O)[C@](O)(CO)c1ccc(OC)cc1.
What is the InChIKey of ethyl (2R)-2,3-dihydroxy-2-(4-methoxyphenyl)propanoate?
The InChIKey is QWODWZJHVWRIKZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16O5/c1-3-17-11(14)12(15,8-13)9-4-6-10(16-2)7-5-9/h4-7,13,15H,3,8H2,1-2H3/t12-/m0/s1.
What are the key properties of ethyl (2R)-2,3-dihydroxy-2-(4-methoxyphenyl)propanoate?
ethyl (2R)-2,3-dihydroxy-2-(4-methoxyphenyl)propanoate has a molecular weight of 240.25 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2,3-dihydroxy-2-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 121000481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).