(1-methoxy-1-oxo-3-phenylpropan-2-yl) 2-hydroxy-3-phenylpropanoate

C19H20O5 — CID 139962469

IUPAC(1-methoxy-1-oxo-3-phenylpropan-2-yl) 2-hydroxy-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)OC(=O)C(O)Cc1ccccc1
InChIInChI=1S/C19H20O5/c1-23-19(22)17(13-15-10-6-3-7-11-15)24-18(21)16(20)12-14-8-4-2-5-9-14/h2-11,16-17,20H,12-13H2,1H3
InChIKeyGZWUTABEYBCVRP-UHFFFAOYSA-N
MW328.36 g/mol
LogP1.92
Rot. Bonds7

About (1-methoxy-1-oxo-3-phenylpropan-2-yl) 2-hydroxy-3-phenylpropanoate

(1-methoxy-1-oxo-3-phenylpropan-2-yl) 2-hydroxy-3-phenylpropanoate (PubChem CID 139962469) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is (1-methoxy-1-oxo-3-phenylpropan-2-yl) 2-hydroxy-3-phenylpropanoate.

Molecular Properties

Compound Name(1-methoxy-1-oxo-3-phenylpropan-2-yl) 2-hydroxy-3-phenylpropanoate
PubChem CID139962469
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name(1-methoxy-1-oxo-3-phenylpropan-2-yl) 2-hydroxy-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)OC(=O)C(O)Cc1ccccc1
InChIInChI=1S/C19H20O5/c1-23-19(22)17(13-15-10-6-3-7-11-15)24-18(21)16(20)12-14-8-4-2-5-9-14/h2-11,16-17,20H,12-13H2,1H3
InChIKeyGZWUTABEYBCVRP-UHFFFAOYSA-N
XLogP1.92
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1-methoxy-1-oxo-3-phenylpropan-2-yl)oxy-1-oxo-3-phenylpropan-2-yl] 2-hydroxy-3-phenylpropanoate
CID 139962468
methyl 2-(2-hydroxypropoxy)-3-phenylpropanoate
CID 176961822
methyl 2-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
CID 10493427
methyl (3S)-2,3-dihydroxy-4-phenylbutanoate
CID 129084711
methyl 3-phenyl-2-triphenylstannylpropanoate
CID 15065445
methyl 2-methyl-3-phenylpropanoate
CID 11105919
methyl 2-[benzyl(methyl)phosphoryl]oxy-3-phenylpropanoate
CID 19936060
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
(2R)-2-methoxy-3-phenylpropanoic acid
CID 72942339
methyl (2R,3R)-2,3-dimethyl-4-phenylbutanoate
CID 170849387
methyl (2R)-2-hydroxy-4-phenylbutanoate
CID 10878023
methyl 2-benzyl-3-oxobutanoate
CID 10679785

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-1-oxo-3-phenylpropan-2-yl) 2-hydroxy-3-phenylpropanoate?
The IUPAC name of (1-methoxy-1-oxo-3-phenylpropan-2-yl) 2-hydroxy-3-phenylpropanoate (CID 139962469) is (1-methoxy-1-oxo-3-phenylpropan-2-yl) 2-hydroxy-3-phenylpropanoate.
What is the SMILES notation for (1-methoxy-1-oxo-3-phenylpropan-2-yl) 2-hydroxy-3-phenylpropanoate?
The canonical SMILES for (1-methoxy-1-oxo-3-phenylpropan-2-yl) 2-hydroxy-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)OC(=O)C(O)Cc1ccccc1.
What is the InChIKey of (1-methoxy-1-oxo-3-phenylpropan-2-yl) 2-hydroxy-3-phenylpropanoate?
The InChIKey is GZWUTABEYBCVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-23-19(22)17(13-15-10-6-3-7-11-15)24-18(21)16(20)12-14-8-4-2-5-9-14/h2-11,16-17,20H,12-13H2,1H3.
What are the key properties of (1-methoxy-1-oxo-3-phenylpropan-2-yl) 2-hydroxy-3-phenylpropanoate?
(1-methoxy-1-oxo-3-phenylpropan-2-yl) 2-hydroxy-3-phenylpropanoate has a molecular weight of 328.36 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-1-oxo-3-phenylpropan-2-yl) 2-hydroxy-3-phenylpropanoate is sourced from PubChem (CID 139962469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).