2-[[(4S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one

C19H22O4 — CID 138968854

IUPAC2-[[(4S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one
SMILESO=C1C=CCC(CC2C[C@H](O)CC(/C=C/c3ccccc3)O2)O1
InChIInChI=1S/C19H22O4/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/h1-6,8-10,15-18,20H,7,11-13H2/b10-9+/t15-,16?,17?,18?/m1/s1
InChIKeyDAZILMCOILLTMD-GYUBACRRSA-N
MW314.38 g/mol
LogP2.87
Rot. Bonds4

About 2-[[(4S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one

2-[[(4S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one (PubChem CID 138968854) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-[[(4S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-[[(4S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one
PubChem CID138968854
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name2-[[(4S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one
SMILESO=C1C=CCC(CC2C[C@H](O)CC(/C=C/c3ccccc3)O2)O1
InChIInChI=1S/C19H22O4/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/h1-6,8-10,15-18,20H,7,11-13H2/b10-9+/t15-,16?,17?,18?/m1/s1
InChIKeyDAZILMCOILLTMD-GYUBACRRSA-N
XLogP2.87
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(4S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[[(2S,4R,5R,6R)-4,5-dihydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one
CID 101052051
(2R)-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 6440856
(2S)-2-[(Z)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 11229405
(4S,6R)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one
CID 10465961
2-[(6-oxo-2,3-dihydropyran-2-yl)methyl]-6-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one
CID 167994204
[(2R,4S,6S)-2-[[(2R,3R)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]methyl]-6-[(E)-2-phenylethenyl]oxan-4-yl] acetate
CID 138967265
(2R)-2-[(E,2R,4S)-2,4-dihydroxy-6-phenylhex-5-enyl]-2,3-dihydropyran-6-one
CID 101052038
[(E,2S)-1-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-4-phenylbut-3-en-2-yl] acetate
CID 11808267
(2R,4S,6R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-[(E)-2-phenylethenyl]oxan-4-ol
CID 138967268
(1R,5R,7R)-7-(2-phenylethenyl)-2,6-dioxabicyclo[3.3.1]nonan-3-one
CID 146001300
2-(4-hydroxy-6-oxo-8-phenylocta-1,7-dienyl)-2,3-dihydropyran-6-one
CID 162880407
(2S)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydropyran-6-one
CID 91990026

Frequently Asked Questions

What is the IUPAC name of 2-[[(4S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one?
The IUPAC name of 2-[[(4S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one (CID 138968854) is 2-[[(4S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-[[(4S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one?
The canonical SMILES for 2-[[(4S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one is O=C1C=CCC(CC2C[C@H](O)CC(/C=C/c3ccccc3)O2)O1.
What is the InChIKey of 2-[[(4S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one?
The InChIKey is DAZILMCOILLTMD-GYUBACRRSA-N. The full InChI is InChI=1S/C19H22O4/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/h1-6,8-10,15-18,20H,7,11-13H2/b10-9+/t15-,16?,17?,18?/m1/s1.
What are the key properties of 2-[[(4S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one?
2-[[(4S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one has a molecular weight of 314.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 138968854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).