1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethanone

C15H20O3 — CID 67978631

IUPAC1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(C2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C15H20O3/c1-10(16)11-6-8-12(9-7-11)13-17-14(2,3)15(4,5)18-13/h6-9,13H,1-5H3
InChIKeyUIRBLSSIJVAVQA-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.49
Rot. Bonds2

About 1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethanone

1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethanone (PubChem CID 67978631) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethanone
PubChem CID67978631
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(C2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C15H20O3/c1-10(16)11-6-8-12(9-7-11)13-17-14(2,3)15(4,5)18-13/h6-9,13H,1-5H3
InChIKeyUIRBLSSIJVAVQA-UHFFFAOYSA-N
XLogP3.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethanone (CID 67978631) is 1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethanone is CC(=O)c1ccc(C2OC(C)(C)C(C)(C)O2)cc1.
What is the InChIKey of 1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethanone?
The InChIKey is UIRBLSSIJVAVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-10(16)11-6-8-12(9-7-11)13-17-14(2,3)15(4,5)18-13/h6-9,13H,1-5H3.
What are the key properties of 1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethanone?
1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethanone has a molecular weight of 248.32 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethanone is sourced from PubChem (CID 67978631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).