6-(1,2-dihydroxyethyl)-2-(2,5-dihydroxyphenyl)-2-methyl-6H-furo[3,4-d][1,3]dioxol-4-one

C14H14O8 — CID 25069075

IUPAC6-(1,2-dihydroxyethyl)-2-(2,5-dihydroxyphenyl)-2-methyl-6H-furo[3,4-d][1,3]dioxol-4-one
SMILESCC1(c2cc(O)ccc2O)OC2=C(O1)C(C(O)CO)OC2=O
InChIInChI=1S/C14H14O8/c1-14(7-4-6(16)2-3-8(7)17)21-11-10(9(18)5-15)20-13(19)12(11)22-14/h2-4,9-10,15-18H,5H2,1H3
InChIKeyYCGFPAZTEHTXDA-UHFFFAOYSA-N
MW310.26 g/mol
LogP-0.19
Rot. Bonds3

About 6-(1,2-dihydroxyethyl)-2-(2,5-dihydroxyphenyl)-2-methyl-6H-furo[3,4-d][1,3]dioxol-4-one

6-(1,2-dihydroxyethyl)-2-(2,5-dihydroxyphenyl)-2-methyl-6H-furo[3,4-d][1,3]dioxol-4-one (PubChem CID 25069075) has the molecular formula C14H14O8 and a molecular weight of 310.26 g/mol. Its IUPAC name is 6-(1,2-dihydroxyethyl)-2-(2,5-dihydroxyphenyl)-2-methyl-6H-furo[3,4-d][1,3]dioxol-4-one.

Molecular Properties

Compound Name6-(1,2-dihydroxyethyl)-2-(2,5-dihydroxyphenyl)-2-methyl-6H-furo[3,4-d][1,3]dioxol-4-one
PubChem CID25069075
Molecular FormulaC14H14O8
Molecular Weight310.26 g/mol
Exact Mass310.07
IUPAC Name6-(1,2-dihydroxyethyl)-2-(2,5-dihydroxyphenyl)-2-methyl-6H-furo[3,4-d][1,3]dioxol-4-one
SMILESCC1(c2cc(O)ccc2O)OC2=C(O1)C(C(O)CO)OC2=O
InChIInChI=1S/C14H14O8/c1-14(7-4-6(16)2-3-8(7)17)21-11-10(9(18)5-15)20-13(19)12(11)22-14/h2-4,9-10,15-18H,5H2,1H3
InChIKeyYCGFPAZTEHTXDA-UHFFFAOYSA-N
XLogP-0.19
TPSA125.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1,2-dihydroxyethyl)-2-(2,5-dihydroxyphenyl)-2-methyl-6H-furo[3,4-d][1,3]dioxol-4-one?
The IUPAC name of 6-(1,2-dihydroxyethyl)-2-(2,5-dihydroxyphenyl)-2-methyl-6H-furo[3,4-d][1,3]dioxol-4-one (CID 25069075) is 6-(1,2-dihydroxyethyl)-2-(2,5-dihydroxyphenyl)-2-methyl-6H-furo[3,4-d][1,3]dioxol-4-one.
What is the SMILES notation for 6-(1,2-dihydroxyethyl)-2-(2,5-dihydroxyphenyl)-2-methyl-6H-furo[3,4-d][1,3]dioxol-4-one?
The canonical SMILES for 6-(1,2-dihydroxyethyl)-2-(2,5-dihydroxyphenyl)-2-methyl-6H-furo[3,4-d][1,3]dioxol-4-one is CC1(c2cc(O)ccc2O)OC2=C(O1)C(C(O)CO)OC2=O.
What is the InChIKey of 6-(1,2-dihydroxyethyl)-2-(2,5-dihydroxyphenyl)-2-methyl-6H-furo[3,4-d][1,3]dioxol-4-one?
The InChIKey is YCGFPAZTEHTXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O8/c1-14(7-4-6(16)2-3-8(7)17)21-11-10(9(18)5-15)20-13(19)12(11)22-14/h2-4,9-10,15-18H,5H2,1H3.
What are the key properties of 6-(1,2-dihydroxyethyl)-2-(2,5-dihydroxyphenyl)-2-methyl-6H-furo[3,4-d][1,3]dioxol-4-one?
6-(1,2-dihydroxyethyl)-2-(2,5-dihydroxyphenyl)-2-methyl-6H-furo[3,4-d][1,3]dioxol-4-one has a molecular weight of 310.26 g/mol, XLogP of -0.19, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2-dihydroxyethyl)-2-(2,5-dihydroxyphenyl)-2-methyl-6H-furo[3,4-d][1,3]dioxol-4-one is sourced from PubChem (CID 25069075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).