(2R,6S)-6-benzyl-2-hydroxy-2H-pyran-5-one

C12H12O3 — CID 125485515

IUPAC(2R,6S)-6-benzyl-2-hydroxy-2H-pyran-5-one
SMILESO=C1C=C[C@H](O)O[C@H]1Cc1ccccc1
InChIInChI=1S/C12H12O3/c13-10-6-7-12(14)15-11(10)8-9-4-2-1-3-5-9/h1-7,11-12,14H,8H2/t11-,12+/m0/s1
InChIKeyUQDGWJAWRSAOPL-NWDGAFQWSA-N
MW204.23 g/mol
LogP1.07
Rot. Bonds2

About (2R,6S)-6-benzyl-2-hydroxy-2H-pyran-5-one

(2R,6S)-6-benzyl-2-hydroxy-2H-pyran-5-one (PubChem CID 125485515) has the molecular formula C12H12O3 and a molecular weight of 204.23 g/mol. Its IUPAC name is (2R,6S)-6-benzyl-2-hydroxy-2H-pyran-5-one.

Molecular Properties

Compound Name(2R,6S)-6-benzyl-2-hydroxy-2H-pyran-5-one
PubChem CID125485515
Molecular FormulaC12H12O3
Molecular Weight204.23 g/mol
Exact Mass204.08
IUPAC Name(2R,6S)-6-benzyl-2-hydroxy-2H-pyran-5-one
SMILESO=C1C=C[C@H](O)O[C@H]1Cc1ccccc1
InChIInChI=1S/C12H12O3/c13-10-6-7-12(14)15-11(10)8-9-4-2-1-3-5-9/h1-7,11-12,14H,8H2/t11-,12+/m0/s1
InChIKeyUQDGWJAWRSAOPL-NWDGAFQWSA-N
XLogP1.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-6-benzyl-2-hydroxy-2H-pyran-5-one?
The IUPAC name of (2R,6S)-6-benzyl-2-hydroxy-2H-pyran-5-one (CID 125485515) is (2R,6S)-6-benzyl-2-hydroxy-2H-pyran-5-one.
What is the SMILES notation for (2R,6S)-6-benzyl-2-hydroxy-2H-pyran-5-one?
The canonical SMILES for (2R,6S)-6-benzyl-2-hydroxy-2H-pyran-5-one is O=C1C=C[C@H](O)O[C@H]1Cc1ccccc1.
What is the InChIKey of (2R,6S)-6-benzyl-2-hydroxy-2H-pyran-5-one?
The InChIKey is UQDGWJAWRSAOPL-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H12O3/c13-10-6-7-12(14)15-11(10)8-9-4-2-1-3-5-9/h1-7,11-12,14H,8H2/t11-,12+/m0/s1.
What are the key properties of (2R,6S)-6-benzyl-2-hydroxy-2H-pyran-5-one?
(2R,6S)-6-benzyl-2-hydroxy-2H-pyran-5-one has a molecular weight of 204.23 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-6-benzyl-2-hydroxy-2H-pyran-5-one is sourced from PubChem (CID 125485515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).