2-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one

C12H14O3 — CID 10856646

IUPAC2-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)C1OCCO1
InChIInChI=1S/C12H14O3/c1-9(12-14-7-8-15-12)11(13)10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
InChIKeyCQKLDDBLSHMVNG-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.88
Rot. Bonds3

About 2-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one

2-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one (PubChem CID 10856646) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one
PubChem CID10856646
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)C1OCCO1
InChIInChI=1S/C12H14O3/c1-9(12-14-7-8-15-12)11(13)10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
InChIKeyCQKLDDBLSHMVNG-UHFFFAOYSA-N
XLogP1.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one (CID 10856646) is 2-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one is CC(C(=O)c1ccccc1)C1OCCO1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one?
The InChIKey is CQKLDDBLSHMVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-9(12-14-7-8-15-12)11(13)10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3.
What are the key properties of 2-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one?
2-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one has a molecular weight of 206.24 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 10856646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).