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

C12H14O3 — CID 2758705

IUPAC3-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one
SMILESO=C(CCC1OCCO1)c1ccccc1
InChIInChI=1S/C12H14O3/c13-11(10-4-2-1-3-5-10)6-7-12-14-8-9-15-12/h1-5,12H,6-9H2
InChIKeyLLIMHPOEWHSGBA-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.02
Rot. Bonds4

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

3-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one (PubChem CID 2758705) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one
PubChem CID2758705
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name3-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one
SMILESO=C(CCC1OCCO1)c1ccccc1
InChIInChI=1S/C12H14O3/c13-11(10-4-2-1-3-5-10)6-7-12-14-8-9-15-12/h1-5,12H,6-9H2
InChIKeyLLIMHPOEWHSGBA-UHFFFAOYSA-N
XLogP2.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)propan-1-one
CID 2758695
1-(4-tert-butylphenyl)-3-(1,3-dioxolan-2-yl)propan-1-one
CID 2757286
3-(1,3-dioxolan-2-yl)-1-(4-isocyanophenyl)propan-1-one
CID 171744513
1-(3-bromophenyl)-3-(1,3-dioxan-2-yl)propan-1-one
CID 24727811
N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide
CID 14952151
1,3-dioxolan-2-ylmethanol;1-phenylpropan-1-one
CID 175131746
2-(3-oxo-3-phenylpropyl)cyclopentane-1,3-dione
CID 101408905
1-(2,6-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-one
CID 24727960
1-phenyl-3-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-one
CID 13215527
1-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]propan-1-one
CID 11184316
1-(1,3-dioxan-2-yl)-5-phenylpentan-3-one
CID 102370086
1-(1,3-dioxolan-2-yl)-7-phenylheptan-3-one
CID 163679114

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one?
The IUPAC name of 3-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one (CID 2758705) is 3-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one is O=C(CCC1OCCO1)c1ccccc1.
What is the InChIKey of 3-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one?
The InChIKey is LLIMHPOEWHSGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-11(10-4-2-1-3-5-10)6-7-12-14-8-9-15-12/h1-5,12H,6-9H2.
What are the key properties of 3-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one?
3-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one has a molecular weight of 206.24 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 2758705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).