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

C19H18O4 — CID 167994204

IUPAC2-[(6-oxo-2,3-dihydropyran-2-yl)methyl]-6-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one
SMILESO=C1C=C(/C=C/c2ccccc2)OC(CC2CC=CC(=O)O2)C1
InChIInChI=1S/C19H18O4/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,7,12-13H2/b10-9+
InChIKeyNZGGCMIUTMKVIG-MDZDMXLPSA-N
MW310.35 g/mol
LogP3.20
Rot. Bonds4

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

2-[(6-oxo-2,3-dihydropyran-2-yl)methyl]-6-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one (PubChem CID 167994204) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[(6-oxo-2,3-dihydropyran-2-yl)methyl]-6-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-[(6-oxo-2,3-dihydropyran-2-yl)methyl]-6-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one
PubChem CID167994204
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name2-[(6-oxo-2,3-dihydropyran-2-yl)methyl]-6-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one
SMILESO=C1C=C(/C=C/c2ccccc2)OC(CC2CC=CC(=O)O2)C1
InChIInChI=1S/C19H18O4/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,7,12-13H2/b10-9+
InChIKeyNZGGCMIUTMKVIG-MDZDMXLPSA-N
XLogP3.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

2-[[(4S)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one
CID 138968854
(2R)-2-[[(2S,4R,5R,6R)-4,5-dihydroxy-6-[(E)-2-phenylethenyl]oxan-2-yl]methyl]-2,3-dihydropyran-6-one
CID 101052051
[(E,2S)-1-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-4-phenylbut-3-en-2-yl] acetate
CID 11808267
(2R)-2-[(E,2R,4S)-2,4-dihydroxy-6-phenylhex-5-enyl]-2,3-dihydropyran-6-one
CID 101052038
(2R)-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 6440856
(2S)-2-[(Z)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 11229405
(6-oxo-2,3-dihydropyran-2-yl)methyl 2-methylbenzoate
CID 129127022
(2R)-2-[(2-benzylphenoxy)methyl]-2,3-dihydropyran-6-one
CID 162665182
2-(2-hydroxy-6-phenylhexyl)-2,3-dihydropyran-6-one
CID 74817578
(2S)-2-[(2R)-2-(methoxymethoxy)-6-phenylhexyl]-2,3-dihydropyran-6-one
CID 11461301
(1R,5S,13S,15S)-9-hydroxy-15-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]-5-phenyl-13-[(E)-2-phenylethenyl]-4,12,14-trioxatetracyclo[11.3.1.02,11.03,8]heptadeca-2(11),3(8),9-trien-7-one
CID 166626251
(2S)-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydropyran-4-one
CID 125416659

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-2,3-dihydropyran-2-yl)methyl]-6-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one?
The IUPAC name of 2-[(6-oxo-2,3-dihydropyran-2-yl)methyl]-6-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one (CID 167994204) is 2-[(6-oxo-2,3-dihydropyran-2-yl)methyl]-6-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-[(6-oxo-2,3-dihydropyran-2-yl)methyl]-6-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one?
The canonical SMILES for 2-[(6-oxo-2,3-dihydropyran-2-yl)methyl]-6-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one is O=C1C=C(/C=C/c2ccccc2)OC(CC2CC=CC(=O)O2)C1.
What is the InChIKey of 2-[(6-oxo-2,3-dihydropyran-2-yl)methyl]-6-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one?
The InChIKey is NZGGCMIUTMKVIG-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H18O4/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,7,12-13H2/b10-9+.
What are the key properties of 2-[(6-oxo-2,3-dihydropyran-2-yl)methyl]-6-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one?
2-[(6-oxo-2,3-dihydropyran-2-yl)methyl]-6-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one has a molecular weight of 310.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-2,3-dihydropyran-2-yl)methyl]-6-[(E)-2-phenylethenyl]-2,3-dihydropyran-4-one is sourced from PubChem (CID 167994204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).