2,6-bis[(E)-2-phenylethenyl]pyran-4-one

C21H16O2 — CID 6142827

IUPAC2,6-bis[(E)-2-phenylethenyl]pyran-4-one
SMILESO=c1cc(/C=C/c2ccccc2)oc(/C=C/c2ccccc2)c1
InChIInChI=1S/C21H16O2/c22-19-15-20(13-11-17-7-3-1-4-8-17)23-21(16-19)14-12-18-9-5-2-6-10-18/h1-16H/b13-11+,14-12+
InChIKeyNSVYBGVJLGLQOS-PHEQNACWSA-N
MW300.36 g/mol
LogP4.98
Rot. Bonds4

About 2,6-bis[(E)-2-phenylethenyl]pyran-4-one

2,6-bis[(E)-2-phenylethenyl]pyran-4-one (PubChem CID 6142827) has the molecular formula C21H16O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2,6-bis[(E)-2-phenylethenyl]pyran-4-one.

Molecular Properties

Compound Name2,6-bis[(E)-2-phenylethenyl]pyran-4-one
PubChem CID6142827
Molecular FormulaC21H16O2
Molecular Weight300.36 g/mol
Exact Mass300.12
IUPAC Name2,6-bis[(E)-2-phenylethenyl]pyran-4-one
SMILESO=c1cc(/C=C/c2ccccc2)oc(/C=C/c2ccccc2)c1
InChIInChI=1S/C21H16O2/c22-19-15-20(13-11-17-7-3-1-4-8-17)23-21(16-19)14-12-18-9-5-2-6-10-18/h1-16H/b13-11+,14-12+
InChIKeyNSVYBGVJLGLQOS-PHEQNACWSA-N
XLogP4.98
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-oxo-6-[(E)-2-phenylethenyl]pyran-2-carboxylate
CID 162787655
3-[(Z)-2-phenylethenyl]isochromen-1-one
CID 10681992
6-methyl-2-[(E)-2-phenylethenyl]chromen-4-one
CID 11499910
ethyl 2-diazo-2-[4-oxo-6-[(E)-2-phenylethenyl]pyran-2-yl]acetate
CID 164686478
5,7-dihydroxy-2-[(E)-2-phenylethenyl]chromen-4-one
CID 6477679
CID 70569152
CID 70569152
CID 70567885
CID 70567885
2-methoxy-6-[2-(4-methoxyphenyl)ethenyl]pyran-4-one
CID 85196120
2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-one
CID 72747116
2-chloro-5-[(E)-2-phenylethenyl]furan
CID 10845883
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(E)-2-phenylethenyl]pyran-4-one?
The IUPAC name of 2,6-bis[(E)-2-phenylethenyl]pyran-4-one (CID 6142827) is 2,6-bis[(E)-2-phenylethenyl]pyran-4-one.
What is the SMILES notation for 2,6-bis[(E)-2-phenylethenyl]pyran-4-one?
The canonical SMILES for 2,6-bis[(E)-2-phenylethenyl]pyran-4-one is O=c1cc(/C=C/c2ccccc2)oc(/C=C/c2ccccc2)c1.
What is the InChIKey of 2,6-bis[(E)-2-phenylethenyl]pyran-4-one?
The InChIKey is NSVYBGVJLGLQOS-PHEQNACWSA-N. The full InChI is InChI=1S/C21H16O2/c22-19-15-20(13-11-17-7-3-1-4-8-17)23-21(16-19)14-12-18-9-5-2-6-10-18/h1-16H/b13-11+,14-12+.
What are the key properties of 2,6-bis[(E)-2-phenylethenyl]pyran-4-one?
2,6-bis[(E)-2-phenylethenyl]pyran-4-one has a molecular weight of 300.36 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(E)-2-phenylethenyl]pyran-4-one is sourced from PubChem (CID 6142827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).