3-(2-methyl-1,3-dioxolan-2-yl)chromen-4-one

C13H12O4 — CID 102496487

IUPAC3-(2-methyl-1,3-dioxolan-2-yl)chromen-4-one
SMILESCC1(c2coc3ccccc3c2=O)OCCO1
InChIInChI=1S/C13H12O4/c1-13(16-6-7-17-13)10-8-15-11-5-3-2-4-9(11)12(10)14/h2-5,8H,6-7H2,1H3
InChIKeyDCFVGUVKASFIGO-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.01
Rot. Bonds1

About 3-(2-methyl-1,3-dioxolan-2-yl)chromen-4-one

3-(2-methyl-1,3-dioxolan-2-yl)chromen-4-one (PubChem CID 102496487) has the molecular formula C13H12O4 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-(2-methyl-1,3-dioxolan-2-yl)chromen-4-one.

Molecular Properties

Compound Name3-(2-methyl-1,3-dioxolan-2-yl)chromen-4-one
PubChem CID102496487
Molecular FormulaC13H12O4
Molecular Weight232.24 g/mol
Exact Mass232.07
IUPAC Name3-(2-methyl-1,3-dioxolan-2-yl)chromen-4-one
SMILESCC1(c2coc3ccccc3c2=O)OCCO1
InChIInChI=1S/C13H12O4/c1-13(16-6-7-17-13)10-8-15-11-5-3-2-4-9(11)12(10)14/h2-5,8H,6-7H2,1H3
InChIKeyDCFVGUVKASFIGO-UHFFFAOYSA-N
XLogP2.01
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 143974471
CID 143974471
3-(8-azabicyclo[3.2.1]octan-1-yl)chromen-4-one
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5-[(4-oxochromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2186033
benzene;3-hydroxychromen-4-one
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ethane;3-phenylchromen-4-one
CID 90946880
methyl 1-(1-benzofuran-3-yl)-2,2-dimethylcyclopropane-1-carboxylate
CID 116842883
2-(2-bromophenyl)-2-methyl-1,3-dioxolane
CID 615284
3-phenylchromen-4-one;phosphane
CID 174413449
1-benzofuran-3-yl-(1-methylcyclopropyl)methanone
CID 164656337
3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]chromen-4-one
CID 12067592
N-methyl-1-(4-oxochromen-3-yl)methanimine oxide
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3-(1-isocyanatocyclopropyl)-1-benzofuran
CID 84775191

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-dioxolan-2-yl)chromen-4-one?
The IUPAC name of 3-(2-methyl-1,3-dioxolan-2-yl)chromen-4-one (CID 102496487) is 3-(2-methyl-1,3-dioxolan-2-yl)chromen-4-one.
What is the SMILES notation for 3-(2-methyl-1,3-dioxolan-2-yl)chromen-4-one?
The canonical SMILES for 3-(2-methyl-1,3-dioxolan-2-yl)chromen-4-one is CC1(c2coc3ccccc3c2=O)OCCO1.
What is the InChIKey of 3-(2-methyl-1,3-dioxolan-2-yl)chromen-4-one?
The InChIKey is DCFVGUVKASFIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4/c1-13(16-6-7-17-13)10-8-15-11-5-3-2-4-9(11)12(10)14/h2-5,8H,6-7H2,1H3.
What are the key properties of 3-(2-methyl-1,3-dioxolan-2-yl)chromen-4-one?
3-(2-methyl-1,3-dioxolan-2-yl)chromen-4-one has a molecular weight of 232.24 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-dioxolan-2-yl)chromen-4-one is sourced from PubChem (CID 102496487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).