4-(1,3-benzodioxol-5-yl)-2-hydroxy-2H-furan-5-one

C11H8O5 — CID 56978420

IUPAC4-(1,3-benzodioxol-5-yl)-2-hydroxy-2H-furan-5-one
SMILESO=C1OC(O)C=C1c1ccc2c(c1)OCO2
InChIInChI=1S/C11H8O5/c12-10-4-7(11(13)16-10)6-1-2-8-9(3-6)15-5-14-8/h1-4,10,12H,5H2
InChIKeyZRNYRWXMPQIQDA-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.67
Rot. Bonds1

About 4-(1,3-benzodioxol-5-yl)-2-hydroxy-2H-furan-5-one

4-(1,3-benzodioxol-5-yl)-2-hydroxy-2H-furan-5-one (PubChem CID 56978420) has the molecular formula C11H8O5 and a molecular weight of 220.18 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-2-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-2-hydroxy-2H-furan-5-one
PubChem CID56978420
Molecular FormulaC11H8O5
Molecular Weight220.18 g/mol
Exact Mass220.04
IUPAC Name4-(1,3-benzodioxol-5-yl)-2-hydroxy-2H-furan-5-one
SMILESO=C1OC(O)C=C1c1ccc2c(c1)OCO2
InChIInChI=1S/C11H8O5/c12-10-4-7(11(13)16-10)6-1-2-8-9(3-6)15-5-14-8/h1-4,10,12H,5H2
InChIKeyZRNYRWXMPQIQDA-UHFFFAOYSA-N
XLogP0.67
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1,3-benzodioxol-5-yl)phenyl]methanol
CID 118042431
4-(1,3-benzodioxol-5-yl)benzene-1,2-diol
CID 141023999
(1R,3aR,4S,6aS)-1,4-bis(1,3-benzodioxol-5-yl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 92542340
[4-(1,3-benzodioxol-5-yl)-3,5-dihydroxyphenyl]-phenylmethanone
CID 162666599
2-(1,3-benzodioxol-5-yl)benzoate
CID 7022485
3-(1,3-benzodioxol-5-yl)-4-(4-methylphenyl)-2H-furan-5-one
CID 142656691
2-[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]acetic acid
CID 91665266
3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbohydrazide
CID 853504
3-amino-5-(1,3-benzodioxol-5-yl)benzoic acid
CID 53226204
4-(1,3-benzodioxol-5-yl)cyclohex-3-en-1-one
CID 59541914
5-(1,3-benzodioxol-5-yl)-2,3-dihydroinden-1-one
CID 11242192
5-(3-nitrophenyl)-1,3-benzodioxole
CID 71197366

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-2-hydroxy-2H-furan-5-one?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-2-hydroxy-2H-furan-5-one (CID 56978420) is 4-(1,3-benzodioxol-5-yl)-2-hydroxy-2H-furan-5-one.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-2-hydroxy-2H-furan-5-one?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-2-hydroxy-2H-furan-5-one is O=C1OC(O)C=C1c1ccc2c(c1)OCO2.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-2-hydroxy-2H-furan-5-one?
The InChIKey is ZRNYRWXMPQIQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O5/c12-10-4-7(11(13)16-10)6-1-2-8-9(3-6)15-5-14-8/h1-4,10,12H,5H2.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-2-hydroxy-2H-furan-5-one?
4-(1,3-benzodioxol-5-yl)-2-hydroxy-2H-furan-5-one has a molecular weight of 220.18 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-2-hydroxy-2H-furan-5-one is sourced from PubChem (CID 56978420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).