methyl (2R)-2-benzyl-4-hydroxy-5-oxo-3-phenylfuran-2-carboxylate

C19H16O5 — CID 127035651

IUPACmethyl (2R)-2-benzyl-4-hydroxy-5-oxo-3-phenylfuran-2-carboxylate
SMILESCOC(=O)[C@]1(Cc2ccccc2)OC(=O)C(O)=C1c1ccccc1
InChIInChI=1S/C19H16O5/c1-23-18(22)19(12-13-8-4-2-5-9-13)15(16(20)17(21)24-19)14-10-6-3-7-11-14/h2-11,20H,12H2,1H3/t19-/m1/s1
InChIKeyZBPZVOKACTVJJJ-LJQANCHMSA-N
MW324.33 g/mol
LogP2.67
Rot. Bonds4

About methyl (2R)-2-benzyl-4-hydroxy-5-oxo-3-phenylfuran-2-carboxylate

methyl (2R)-2-benzyl-4-hydroxy-5-oxo-3-phenylfuran-2-carboxylate (PubChem CID 127035651) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is methyl (2R)-2-benzyl-4-hydroxy-5-oxo-3-phenylfuran-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-benzyl-4-hydroxy-5-oxo-3-phenylfuran-2-carboxylate
PubChem CID127035651
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Namemethyl (2R)-2-benzyl-4-hydroxy-5-oxo-3-phenylfuran-2-carboxylate
SMILESCOC(=O)[C@]1(Cc2ccccc2)OC(=O)C(O)=C1c1ccccc1
InChIInChI=1S/C19H16O5/c1-23-18(22)19(12-13-8-4-2-5-9-13)15(16(20)17(21)24-19)14-10-6-3-7-11-14/h2-11,20H,12H2,1H3/t19-/m1/s1
InChIKeyZBPZVOKACTVJJJ-LJQANCHMSA-N
XLogP2.67
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-benzyl-4-hydroxy-5-oxo-3-phenylfuran-2-carboxylate?
The IUPAC name of methyl (2R)-2-benzyl-4-hydroxy-5-oxo-3-phenylfuran-2-carboxylate (CID 127035651) is methyl (2R)-2-benzyl-4-hydroxy-5-oxo-3-phenylfuran-2-carboxylate.
What is the SMILES notation for methyl (2R)-2-benzyl-4-hydroxy-5-oxo-3-phenylfuran-2-carboxylate?
The canonical SMILES for methyl (2R)-2-benzyl-4-hydroxy-5-oxo-3-phenylfuran-2-carboxylate is COC(=O)[C@]1(Cc2ccccc2)OC(=O)C(O)=C1c1ccccc1.
What is the InChIKey of methyl (2R)-2-benzyl-4-hydroxy-5-oxo-3-phenylfuran-2-carboxylate?
The InChIKey is ZBPZVOKACTVJJJ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H16O5/c1-23-18(22)19(12-13-8-4-2-5-9-13)15(16(20)17(21)24-19)14-10-6-3-7-11-14/h2-11,20H,12H2,1H3/t19-/m1/s1.
What are the key properties of methyl (2R)-2-benzyl-4-hydroxy-5-oxo-3-phenylfuran-2-carboxylate?
methyl (2R)-2-benzyl-4-hydroxy-5-oxo-3-phenylfuran-2-carboxylate has a molecular weight of 324.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-benzyl-4-hydroxy-5-oxo-3-phenylfuran-2-carboxylate is sourced from PubChem (CID 127035651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).