[(2S)-3-hydroxy-2-methylpropyl] (2R)-2-methyl-3-phenylmethoxypropanoate

C15H22O4 — CID 10264907

IUPAC[(2S)-3-hydroxy-2-methylpropyl] (2R)-2-methyl-3-phenylmethoxypropanoate
SMILESC[C@@H](CO)COC(=O)[C@H](C)COCc1ccccc1
InChIInChI=1S/C15H22O4/c1-12(8-16)9-19-15(17)13(2)10-18-11-14-6-4-3-5-7-14/h3-7,12-13,16H,8-11H2,1-2H3/t12-,13+/m0/s1
InChIKeyLZKQFNFVMRKUBU-QWHCGFSZSA-N
MW266.34 g/mol
LogP2.01
Rot. Bonds8

About [(2S)-3-hydroxy-2-methylpropyl] (2R)-2-methyl-3-phenylmethoxypropanoate

[(2S)-3-hydroxy-2-methylpropyl] (2R)-2-methyl-3-phenylmethoxypropanoate (PubChem CID 10264907) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is [(2S)-3-hydroxy-2-methylpropyl] (2R)-2-methyl-3-phenylmethoxypropanoate.

Molecular Properties

Compound Name[(2S)-3-hydroxy-2-methylpropyl] (2R)-2-methyl-3-phenylmethoxypropanoate
PubChem CID10264907
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name[(2S)-3-hydroxy-2-methylpropyl] (2R)-2-methyl-3-phenylmethoxypropanoate
SMILESC[C@@H](CO)COC(=O)[C@H](C)COCc1ccccc1
InChIInChI=1S/C15H22O4/c1-12(8-16)9-19-15(17)13(2)10-18-11-14-6-4-3-5-7-14/h3-7,12-13,16H,8-11H2,1-2H3/t12-,13+/m0/s1
InChIKeyLZKQFNFVMRKUBU-QWHCGFSZSA-N
XLogP2.01
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,5S)-2,5-dimethyl-4-oxo-6-phenylmethoxyhexyl] acetate
CID 10039995
benzyl (2R)-3-hydroxy-2-methylpropanoate
CID 102381310
(2R)-2-methyl-1-phenyl-3-phenylmethoxypropan-1-one
CID 12630921
(2S,4R,6S)-2,4,6-trimethyl-7-phenylmethoxyheptan-1-ol
CID 134854729
(2S,4S)-2,4-dimethyl-5-phenylmethoxypentanoic acid
CID 11459012
benzyl 3-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylpropanoate
CID 106483798
methyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate
CID 23559272
2-(hydroxymethyl)-3-phenylmethoxypropanoic acid
CID 151037448
(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
CID 13112308
2,3-dimethyl-4-phenylmethoxybutanoic acid
CID 85340536
3-amino-4-phenylmethoxybutan-2-one
CID 3355727
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-hydroxy-2-methylpropyl] (2R)-2-methyl-3-phenylmethoxypropanoate?
The IUPAC name of [(2S)-3-hydroxy-2-methylpropyl] (2R)-2-methyl-3-phenylmethoxypropanoate (CID 10264907) is [(2S)-3-hydroxy-2-methylpropyl] (2R)-2-methyl-3-phenylmethoxypropanoate.
What is the SMILES notation for [(2S)-3-hydroxy-2-methylpropyl] (2R)-2-methyl-3-phenylmethoxypropanoate?
The canonical SMILES for [(2S)-3-hydroxy-2-methylpropyl] (2R)-2-methyl-3-phenylmethoxypropanoate is C[C@@H](CO)COC(=O)[C@H](C)COCc1ccccc1.
What is the InChIKey of [(2S)-3-hydroxy-2-methylpropyl] (2R)-2-methyl-3-phenylmethoxypropanoate?
The InChIKey is LZKQFNFVMRKUBU-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H22O4/c1-12(8-16)9-19-15(17)13(2)10-18-11-14-6-4-3-5-7-14/h3-7,12-13,16H,8-11H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of [(2S)-3-hydroxy-2-methylpropyl] (2R)-2-methyl-3-phenylmethoxypropanoate?
[(2S)-3-hydroxy-2-methylpropyl] (2R)-2-methyl-3-phenylmethoxypropanoate has a molecular weight of 266.34 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-hydroxy-2-methylpropyl] (2R)-2-methyl-3-phenylmethoxypropanoate is sourced from PubChem (CID 10264907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).