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

C12H12O3 — CID 69276723

IUPAC1-(1,3-dioxol-2-yl)-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)CC1OC=CO1
InChIInChI=1S/C12H12O3/c13-11(9-12-14-6-7-15-12)8-10-4-2-1-3-5-10/h1-7,12H,8-9H2
InChIKeyGASNOUZUYABLTO-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.03
Rot. Bonds4

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

1-(1,3-dioxol-2-yl)-3-phenylpropan-2-one (PubChem CID 69276723) has the molecular formula C12H12O3 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(1,3-dioxol-2-yl)-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-(1,3-dioxol-2-yl)-3-phenylpropan-2-one
PubChem CID69276723
Molecular FormulaC12H12O3
Molecular Weight204.23 g/mol
Exact Mass204.08
IUPAC Name1-(1,3-dioxol-2-yl)-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)CC1OC=CO1
InChIInChI=1S/C12H12O3/c13-11(9-12-14-6-7-15-12)8-10-4-2-1-3-5-10/h1-7,12H,8-9H2
InChIKeyGASNOUZUYABLTO-UHFFFAOYSA-N
XLogP2.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-diphenyl(213C)propan-2-one
CID 100945080
tetrakis(1,5-diphenylpentane-2,4-dione);zirconium(2+)
CID 18435295
1-cyclohexa-2,4-dien-1-yl-3-phenylpropan-2-one
CID 70951910
1-iodo-3-phenylpropan-2-one
CID 11425437
ethane;1-hydroxy-3-phenylpropan-2-one
CID 91537381
1-phenyl-3-piperidin-2-ylpropan-2-one
CID 22237365
CID 66648455
CID 66648455
1-cyclopentylsulfanyl-3-phenylpropan-2-one
CID 63115475
1-(1,3-dioxolan-2-yl)-3-(4-iodophenyl)propan-2-one
CID 103543700
1-(4-bromophenyl)-3-(1,3-dioxolan-2-yl)propan-2-one
CID 90923108
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321
1-phenyl-3-(1-propan-2-ylazetidin-3-yl)propan-2-one
CID 161251993

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxol-2-yl)-3-phenylpropan-2-one?
The IUPAC name of 1-(1,3-dioxol-2-yl)-3-phenylpropan-2-one (CID 69276723) is 1-(1,3-dioxol-2-yl)-3-phenylpropan-2-one.
What is the SMILES notation for 1-(1,3-dioxol-2-yl)-3-phenylpropan-2-one?
The canonical SMILES for 1-(1,3-dioxol-2-yl)-3-phenylpropan-2-one is O=C(Cc1ccccc1)CC1OC=CO1.
What is the InChIKey of 1-(1,3-dioxol-2-yl)-3-phenylpropan-2-one?
The InChIKey is GASNOUZUYABLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c13-11(9-12-14-6-7-15-12)8-10-4-2-1-3-5-10/h1-7,12H,8-9H2.
What are the key properties of 1-(1,3-dioxol-2-yl)-3-phenylpropan-2-one?
1-(1,3-dioxol-2-yl)-3-phenylpropan-2-one has a molecular weight of 204.23 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxol-2-yl)-3-phenylpropan-2-one is sourced from PubChem (CID 69276723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).