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

C12H14O3 — CID 10845946

IUPAC1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(C2(C)OCCO2)cc1
InChIInChI=1S/C12H14O3/c1-9(13)10-3-5-11(6-4-10)12(2)14-7-8-15-12/h3-6H,7-8H2,1-2H3
InChIKeyGOVZWBDODFNBOP-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.11
Rot. Bonds2

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

1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethanone (PubChem CID 10845946) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethanone
PubChem CID10845946
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(C2(C)OCCO2)cc1
InChIInChI=1S/C12H14O3/c1-9(13)10-3-5-11(6-4-10)12(2)14-7-8-15-12/h3-6H,7-8H2,1-2H3
InChIKeyGOVZWBDODFNBOP-UHFFFAOYSA-N
XLogP2.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 83959561
methyl 4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]benzoate
CID 122384679
4-(2-methyl-1,3-dioxolan-2-yl)benzenethiol
CID 18996070
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-[4-(4-oxa-1-azabicyclo[3.1.0]hexan-5-yl)phenyl]ethanone
CID 174732120
1-(4-hydroxyphenyl)ethanone;4-(1-methylcyclopropyl)phenol
CID 161486309
2-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]carbamoyl]benzoic acid
CID 90451427
2-(4-ethoxyphenyl)-2-methyl-1,3-dioxolane
CID 82126602
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
1-[4-(1-hydroxy-3,3-dimethylcyclohexyl)phenyl]ethanone
CID 22390427
1-[4-[(2,2-dimethyloxan-4-yl)amino]phenyl]ethanone
CID 114468372
N-cyclopropyl-6-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide
CID 167933726

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethanone (CID 10845946) is 1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethanone is CC(=O)c1ccc(C2(C)OCCO2)cc1.
What is the InChIKey of 1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethanone?
The InChIKey is GOVZWBDODFNBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-9(13)10-3-5-11(6-4-10)12(2)14-7-8-15-12/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethanone?
1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethanone has a molecular weight of 206.24 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethanone is sourced from PubChem (CID 10845946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).