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

C11H12O3 — CID 569179

IUPAC1-[4-(1,3-dioxolan-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(C2OCCO2)cc1
InChIInChI=1S/C11H12O3/c1-8(12)9-2-4-10(5-3-9)11-13-6-7-14-11/h2-5,11H,6-7H2,1H3
InChIKeyVMGLCLBNRWFFMH-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.93
Rot. Bonds2

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

1-[4-(1,3-dioxolan-2-yl)phenyl]ethanone (PubChem CID 569179) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 1-[4-(1,3-dioxolan-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1,3-dioxolan-2-yl)phenyl]ethanone
PubChem CID569179
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name1-[4-(1,3-dioxolan-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(C2OCCO2)cc1
InChIInChI=1S/C11H12O3/c1-8(12)9-2-4-10(5-3-9)11-13-6-7-14-11/h2-5,11H,6-7H2,1H3
InChIKeyVMGLCLBNRWFFMH-UHFFFAOYSA-N
XLogP1.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-dioxolan-2-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(1,3-dioxolan-2-yl)phenyl]ethanone (CID 569179) is 1-[4-(1,3-dioxolan-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(1,3-dioxolan-2-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(1,3-dioxolan-2-yl)phenyl]ethanone is CC(=O)c1ccc(C2OCCO2)cc1.
What is the InChIKey of 1-[4-(1,3-dioxolan-2-yl)phenyl]ethanone?
The InChIKey is VMGLCLBNRWFFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-8(12)9-2-4-10(5-3-9)11-13-6-7-14-11/h2-5,11H,6-7H2,1H3.
What are the key properties of 1-[4-(1,3-dioxolan-2-yl)phenyl]ethanone?
1-[4-(1,3-dioxolan-2-yl)phenyl]ethanone has a molecular weight of 192.21 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-dioxolan-2-yl)phenyl]ethanone is sourced from PubChem (CID 569179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).