3,5-diethyl-2,6-diphenylpyran-4-one

C21H20O2 — CID 59161433

IUPAC3,5-diethyl-2,6-diphenylpyran-4-one
SMILESCCc1c(-c2ccccc2)oc(-c2ccccc2)c(CC)c1=O
InChIInChI=1S/C21H20O2/c1-3-17-19(22)18(4-2)21(16-13-9-6-10-14-16)23-20(17)15-11-7-5-8-12-15/h5-14H,3-4H2,1-2H3
InChIKeyKBZMBVBEVQLFAW-UHFFFAOYSA-N
MW304.39 g/mol
LogP5.10
Rot. Bonds4

About 3,5-diethyl-2,6-diphenylpyran-4-one

3,5-diethyl-2,6-diphenylpyran-4-one (PubChem CID 59161433) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3,5-diethyl-2,6-diphenylpyran-4-one.

Molecular Properties

Compound Name3,5-diethyl-2,6-diphenylpyran-4-one
PubChem CID59161433
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name3,5-diethyl-2,6-diphenylpyran-4-one
SMILESCCc1c(-c2ccccc2)oc(-c2ccccc2)c(CC)c1=O
InChIInChI=1S/C21H20O2/c1-3-17-19(22)18(4-2)21(16-13-9-6-10-14-16)23-20(17)15-11-7-5-8-12-15/h5-14H,3-4H2,1-2H3
InChIKeyKBZMBVBEVQLFAW-UHFFFAOYSA-N
XLogP5.10
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.39
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-bis(bromomethyl)-2,6-diphenylpyran-4-one
CID 71346571
2-ethyl-3,5-dimethyl-6-phenylpyran-4-one
CID 102311710
6-acetyl-3-ethyl-2-phenylchromen-4-one
CID 13308875
4-ethyl-5-phenyl-1,2-oxazol-3-one
CID 13454114
8-ethyl-3-methyl-2-phenylchromen-4-one
CID 59679615
3-phenyl-4-propylisochromen-1-one
CID 177394778
5-ethyl-3-methyl-2-phenylpyran-4-one
CID 22891668
1,2-diethyl-3,4,5,6-tetraphenylbenzene
CID 58012801
2,3-diethyl-1,4-diphenylbenzene
CID 59383229
4-ethyl-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylic acid
CID 134588362
3-(bromomethyl)-4-methylsulfanyl-2,5-diphenylfuran
CID 102102119
[4-(hydroxymethyl)-2-methyl-5-phenylfuran-3-yl]methanol
CID 13435365

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-2,6-diphenylpyran-4-one?
The IUPAC name of 3,5-diethyl-2,6-diphenylpyran-4-one (CID 59161433) is 3,5-diethyl-2,6-diphenylpyran-4-one.
What is the SMILES notation for 3,5-diethyl-2,6-diphenylpyran-4-one?
The canonical SMILES for 3,5-diethyl-2,6-diphenylpyran-4-one is CCc1c(-c2ccccc2)oc(-c2ccccc2)c(CC)c1=O.
What is the InChIKey of 3,5-diethyl-2,6-diphenylpyran-4-one?
The InChIKey is KBZMBVBEVQLFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2/c1-3-17-19(22)18(4-2)21(16-13-9-6-10-14-16)23-20(17)15-11-7-5-8-12-15/h5-14H,3-4H2,1-2H3.
What are the key properties of 3,5-diethyl-2,6-diphenylpyran-4-one?
3,5-diethyl-2,6-diphenylpyran-4-one has a molecular weight of 304.39 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-2,6-diphenylpyran-4-one is sourced from PubChem (CID 59161433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).