(2S)-2-[(1S,2R)-1-hydroxy-2-methoxy-2-phenylethyl]-2,3-dihydropyran-6-one

C14H16O4 — CID 118722975

IUPAC(2S)-2-[(1S,2R)-1-hydroxy-2-methoxy-2-phenylethyl]-2,3-dihydropyran-6-one
SMILESCO[C@H](c1ccccc1)[C@@H](O)[C@@H]1CC=CC(=O)O1
InChIInChI=1S/C14H16O4/c1-17-14(10-6-3-2-4-7-10)13(16)11-8-5-9-12(15)18-11/h2-7,9,11,13-14,16H,8H2,1H3/t11-,13-,14+/m0/s1
InChIKeyOGXADNXQFFRXMG-FPMFFAJLSA-N
MW248.28 g/mol
LogP1.61
Rot. Bonds4

About (2S)-2-[(1S,2R)-1-hydroxy-2-methoxy-2-phenylethyl]-2,3-dihydropyran-6-one

(2S)-2-[(1S,2R)-1-hydroxy-2-methoxy-2-phenylethyl]-2,3-dihydropyran-6-one (PubChem CID 118722975) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2S)-2-[(1S,2R)-1-hydroxy-2-methoxy-2-phenylethyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S)-2-[(1S,2R)-1-hydroxy-2-methoxy-2-phenylethyl]-2,3-dihydropyran-6-one
PubChem CID118722975
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name(2S)-2-[(1S,2R)-1-hydroxy-2-methoxy-2-phenylethyl]-2,3-dihydropyran-6-one
SMILESCO[C@H](c1ccccc1)[C@@H](O)[C@@H]1CC=CC(=O)O1
InChIInChI=1S/C14H16O4/c1-17-14(10-6-3-2-4-7-10)13(16)11-8-5-9-12(15)18-11/h2-7,9,11,13-14,16H,8H2,1H3/t11-,13-,14+/m0/s1
InChIKeyOGXADNXQFFRXMG-FPMFFAJLSA-N
XLogP1.61
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S,2R)-1-hydroxy-2-methoxy-2-phenylethyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2S)-2-[(1S,2R)-1-hydroxy-2-methoxy-2-phenylethyl]-2,3-dihydropyran-6-one (CID 118722975) is (2S)-2-[(1S,2R)-1-hydroxy-2-methoxy-2-phenylethyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S)-2-[(1S,2R)-1-hydroxy-2-methoxy-2-phenylethyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2S)-2-[(1S,2R)-1-hydroxy-2-methoxy-2-phenylethyl]-2,3-dihydropyran-6-one is CO[C@H](c1ccccc1)[C@@H](O)[C@@H]1CC=CC(=O)O1.
What is the InChIKey of (2S)-2-[(1S,2R)-1-hydroxy-2-methoxy-2-phenylethyl]-2,3-dihydropyran-6-one?
The InChIKey is OGXADNXQFFRXMG-FPMFFAJLSA-N. The full InChI is InChI=1S/C14H16O4/c1-17-14(10-6-3-2-4-7-10)13(16)11-8-5-9-12(15)18-11/h2-7,9,11,13-14,16H,8H2,1H3/t11-,13-,14+/m0/s1.
What are the key properties of (2S)-2-[(1S,2R)-1-hydroxy-2-methoxy-2-phenylethyl]-2,3-dihydropyran-6-one?
(2S)-2-[(1S,2R)-1-hydroxy-2-methoxy-2-phenylethyl]-2,3-dihydropyran-6-one has a molecular weight of 248.28 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S,2R)-1-hydroxy-2-methoxy-2-phenylethyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 118722975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).