6-ethyl-2,2-dimethyl-5-phenyl-1,3-dioxin-4-one

C14H16O3 — CID 19918947

IUPAC6-ethyl-2,2-dimethyl-5-phenyl-1,3-dioxin-4-one
SMILESCCC1=C(c2ccccc2)C(=O)OC(C)(C)O1
InChIInChI=1S/C14H16O3/c1-4-11-12(10-8-6-5-7-9-10)13(15)17-14(2,3)16-11/h5-9H,4H2,1-3H3
InChIKeySPOXHUQFSLCXJT-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.12
Rot. Bonds2

About 6-ethyl-2,2-dimethyl-5-phenyl-1,3-dioxin-4-one

6-ethyl-2,2-dimethyl-5-phenyl-1,3-dioxin-4-one (PubChem CID 19918947) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 6-ethyl-2,2-dimethyl-5-phenyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-ethyl-2,2-dimethyl-5-phenyl-1,3-dioxin-4-one
PubChem CID19918947
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name6-ethyl-2,2-dimethyl-5-phenyl-1,3-dioxin-4-one
SMILESCCC1=C(c2ccccc2)C(=O)OC(C)(C)O1
InChIInChI=1S/C14H16O3/c1-4-11-12(10-8-6-5-7-9-10)13(15)17-14(2,3)16-11/h5-9H,4H2,1-3H3
InChIKeySPOXHUQFSLCXJT-UHFFFAOYSA-N
XLogP3.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-6-(methylsulfanylmethyl)-5-phenyl-1,3-dioxin-4-one
CID 19354595
2-methyl-3-phenyl-1,5-dioxaspiro[5.5]undec-2-en-4-one
CID 139662377
5-iodo-2,2-dimethyl-6-phenyl-1,3-dioxin-4-one
CID 11771851
2-tert-butyl-2-methyl-5,6-diphenyl-1,3-dioxin-4-one
CID 171987741
5-acetyl-2,2-dimethyl-6-phenyl-1,3-dioxin-4-one
CID 10681851
(2,4-diethyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene
CID 139667552
4,4-dichloro-3-ethyl-2-phenylcyclobut-2-en-1-one
CID 134894289
6-[(2R)-2-hydroxy-2-phenylethyl]-2,2,5-trimethyl-1,3-dioxin-4-one
CID 101353722
2,2-dimethyl-5-[[4-(4-phenylphenyl)anilino]methylidene]-1,3-dioxane-4,6-dione
CID 168537073
2-ethyl-1,4-difluorobenzene;5-(hydroxymethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 142948102
2,2-dimethyl-5-[3-(4-methylphenyl)-10,10-dioxo-6-phenylthioxanthen-9-ylidene]-1,3-dioxane-4,6-dione
CID 59650445
2,5-bis(4-ethylphenyl)-3,4-diphenylcyclopenta-2,4-dien-1-one
CID 13263066

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,2-dimethyl-5-phenyl-1,3-dioxin-4-one?
The IUPAC name of 6-ethyl-2,2-dimethyl-5-phenyl-1,3-dioxin-4-one (CID 19918947) is 6-ethyl-2,2-dimethyl-5-phenyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-ethyl-2,2-dimethyl-5-phenyl-1,3-dioxin-4-one?
The canonical SMILES for 6-ethyl-2,2-dimethyl-5-phenyl-1,3-dioxin-4-one is CCC1=C(c2ccccc2)C(=O)OC(C)(C)O1.
What is the InChIKey of 6-ethyl-2,2-dimethyl-5-phenyl-1,3-dioxin-4-one?
The InChIKey is SPOXHUQFSLCXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-4-11-12(10-8-6-5-7-9-10)13(15)17-14(2,3)16-11/h5-9H,4H2,1-3H3.
What are the key properties of 6-ethyl-2,2-dimethyl-5-phenyl-1,3-dioxin-4-one?
6-ethyl-2,2-dimethyl-5-phenyl-1,3-dioxin-4-one has a molecular weight of 232.28 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,2-dimethyl-5-phenyl-1,3-dioxin-4-one is sourced from PubChem (CID 19918947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).