2-(1,3-dioxolan-2-yl)-1-(3-ethylphenyl)ethanone

C13H16O3 — CID 103543782

IUPAC2-(1,3-dioxolan-2-yl)-1-(3-ethylphenyl)ethanone
SMILESCCc1cccc(C(=O)CC2OCCO2)c1
InChIInChI=1S/C13H16O3/c1-2-10-4-3-5-11(8-10)12(14)9-13-15-6-7-16-13/h3-5,8,13H,2,6-7,9H2,1H3
InChIKeyGKGLJJDPKXGYIX-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.19
Rot. Bonds4

About 2-(1,3-dioxolan-2-yl)-1-(3-ethylphenyl)ethanone

2-(1,3-dioxolan-2-yl)-1-(3-ethylphenyl)ethanone (PubChem CID 103543782) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-1-(3-ethylphenyl)ethanone.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-1-(3-ethylphenyl)ethanone
PubChem CID103543782
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-(1,3-dioxolan-2-yl)-1-(3-ethylphenyl)ethanone
SMILESCCc1cccc(C(=O)CC2OCCO2)c1
InChIInChI=1S/C13H16O3/c1-2-10-4-3-5-11(8-10)12(14)9-13-15-6-7-16-13/h3-5,8,13H,2,6-7,9H2,1H3
InChIKeyGKGLJJDPKXGYIX-UHFFFAOYSA-N
XLogP2.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-dioxolan-2-yl)-1-(3-methylphenyl)ethanone
CID 66570584
ethane;1-(3-ethylphenyl)propan-1-one
CID 142830478
2-(1,3-dioxolan-2-yl)-1-(4-propylphenyl)ethanone
CID 66570608
ethyl 3-(1,3-dioxolan-2-ylmethyl)benzoate
CID 24727470
3-(3-ethylphenyl)-3-oxopropanoic acid
CID 55267512
1-(3-ethylphenyl)octan-1-one
CID 115788827
2-morpholin-2-yl-1-(3-propylphenyl)ethanone
CID 116586299
1-(3-ethylphenyl)-3-morpholin-4-ylpropan-1-one
CID 70850714
3-ethylbenzoic acid;propane
CID 177324794
3-amino-1-(3-ethylphenyl)pentan-1-one
CID 116609074
ethane;(3-ethylphenyl)-morpholin-4-ylmethanone
CID 143725238
1-ethyl-3-prop-1-en-2-ylbenzene
CID 14178225

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(3-ethylphenyl)ethanone?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(3-ethylphenyl)ethanone (CID 103543782) is 2-(1,3-dioxolan-2-yl)-1-(3-ethylphenyl)ethanone.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-1-(3-ethylphenyl)ethanone?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-1-(3-ethylphenyl)ethanone is CCc1cccc(C(=O)CC2OCCO2)c1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-1-(3-ethylphenyl)ethanone?
The InChIKey is GKGLJJDPKXGYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-2-10-4-3-5-11(8-10)12(14)9-13-15-6-7-16-13/h3-5,8,13H,2,6-7,9H2,1H3.
What are the key properties of 2-(1,3-dioxolan-2-yl)-1-(3-ethylphenyl)ethanone?
2-(1,3-dioxolan-2-yl)-1-(3-ethylphenyl)ethanone has a molecular weight of 220.27 g/mol, XLogP of 2.19, 4 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-(3-ethylphenyl)ethanone is sourced from PubChem (CID 103543782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).