(2R)-2-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]-6-(2-phenylethyl)-2,3-dihydropyran-4-one

C19H20O4 — CID 46911676

IUPAC(2R)-2-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]-6-(2-phenylethyl)-2,3-dihydropyran-4-one
SMILESO=C1C=C(CCc2ccccc2)O[C@H](C[C@H]2CC=CC(=O)O2)C1
InChIInChI=1S/C19H20O4/c20-15-11-17(10-9-14-5-2-1-3-6-14)22-18(12-15)13-16-7-4-8-19(21)23-16/h1-6,8,11,16,18H,7,9-10,12-13H2/t16-,18+/m1/s1
InChIKeyGLFJXECVUDGKBE-AEFFLSMTSA-N
MW312.36 g/mol
LogP3.12
Rot. Bonds5

About (2R)-2-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]-6-(2-phenylethyl)-2,3-dihydropyran-4-one

(2R)-2-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]-6-(2-phenylethyl)-2,3-dihydropyran-4-one (PubChem CID 46911676) has the molecular formula C19H20O4 and a molecular weight of 312.36 g/mol. Its IUPAC name is (2R)-2-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]-6-(2-phenylethyl)-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2R)-2-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]-6-(2-phenylethyl)-2,3-dihydropyran-4-one
PubChem CID46911676
Molecular FormulaC19H20O4
Molecular Weight312.36 g/mol
Exact Mass312.14
IUPAC Name(2R)-2-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]-6-(2-phenylethyl)-2,3-dihydropyran-4-one
SMILESO=C1C=C(CCc2ccccc2)O[C@H](C[C@H]2CC=CC(=O)O2)C1
InChIInChI=1S/C19H20O4/c20-15-11-17(10-9-14-5-2-1-3-6-14)22-18(12-15)13-16-7-4-8-19(21)23-16/h1-6,8,11,16,18H,7,9-10,12-13H2/t16-,18+/m1/s1
InChIKeyGLFJXECVUDGKBE-AEFFLSMTSA-N
XLogP3.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]-6-(2-phenylethyl)-2,3-dihydropyran-4-one?
The IUPAC name of (2R)-2-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]-6-(2-phenylethyl)-2,3-dihydropyran-4-one (CID 46911676) is (2R)-2-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]-6-(2-phenylethyl)-2,3-dihydropyran-4-one.
What is the SMILES notation for (2R)-2-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]-6-(2-phenylethyl)-2,3-dihydropyran-4-one?
The canonical SMILES for (2R)-2-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]-6-(2-phenylethyl)-2,3-dihydropyran-4-one is O=C1C=C(CCc2ccccc2)O[C@H](C[C@H]2CC=CC(=O)O2)C1.
What is the InChIKey of (2R)-2-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]-6-(2-phenylethyl)-2,3-dihydropyran-4-one?
The InChIKey is GLFJXECVUDGKBE-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H20O4/c20-15-11-17(10-9-14-5-2-1-3-6-14)22-18(12-15)13-16-7-4-8-19(21)23-16/h1-6,8,11,16,18H,7,9-10,12-13H2/t16-,18+/m1/s1.
What are the key properties of (2R)-2-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]-6-(2-phenylethyl)-2,3-dihydropyran-4-one?
(2R)-2-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]-6-(2-phenylethyl)-2,3-dihydropyran-4-one has a molecular weight of 312.36 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]-6-(2-phenylethyl)-2,3-dihydropyran-4-one is sourced from PubChem (CID 46911676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).