methyl (2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoate

C13H18O4 — CID 11459047

IUPACmethyl (2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoate
SMILESCOC(=O)[C@H](C)[C@@H](O)COCc1ccccc1
InChIInChI=1S/C13H18O4/c1-10(13(15)16-2)12(14)9-17-8-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3/t10-,12+/m1/s1
InChIKeyFICPRITUDMMNOF-PWSUYJOCSA-N
MW238.28 g/mol
LogP1.37
Rot. Bonds6

About methyl (2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoate

methyl (2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoate (PubChem CID 11459047) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is methyl (2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoate
PubChem CID11459047
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Namemethyl (2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoate
SMILESCOC(=O)[C@H](C)[C@@H](O)COCc1ccccc1
InChIInChI=1S/C13H18O4/c1-10(13(15)16-2)12(14)9-17-8-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3/t10-,12+/m1/s1
InChIKeyFICPRITUDMMNOF-PWSUYJOCSA-N
XLogP1.37
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-methyl-1-phenyl-4-phenylmethoxybutan-1-one
CID 13378871
methyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate
CID 23559272
methyl (2R)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 119088438
methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 44630138
methyl (2R,3S,4R,5R,6S)-3-hydroxy-2,4,6-trimethyl-5,7-bis(phenylmethoxy)heptanoate
CID 12995255
S-tert-butyl (2R,3S)-3-hydroxy-2-methyl-4-phenylmethoxybutanethioate
CID 100958267
3-amino-2-methyl-N-(1-phenylmethoxypropan-2-yl)butanamide
CID 120501631
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-phenylmethoxybutanoate
CID 164887761
(E,4S,5R)-5-hydroxy-4-methyl-6-phenylmethoxyhex-2-enoic acid
CID 10901044
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
2,3-dimethyl-4-phenylmethoxybutanoic acid
CID 85340536

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoate?
The IUPAC name of methyl (2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoate (CID 11459047) is methyl (2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoate.
What is the SMILES notation for methyl (2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoate?
The canonical SMILES for methyl (2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoate is COC(=O)[C@H](C)[C@@H](O)COCc1ccccc1.
What is the InChIKey of methyl (2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoate?
The InChIKey is FICPRITUDMMNOF-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H18O4/c1-10(13(15)16-2)12(14)9-17-8-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3/t10-,12+/m1/s1.
What are the key properties of methyl (2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoate?
methyl (2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoate has a molecular weight of 238.28 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoate is sourced from PubChem (CID 11459047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).