1-Benzoyloxy-3-hydroxymethyl-2-methylenecyclobutane

HCID 19794316

Notes Reactions

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Basic information

Standard SMILES: C=C1C(CO)CC1OC(=O)c1ccccc1
InChIKey: OXGNWVXYQSKUSB-UHFFFAOYSA-N
Molecular formula: C13H14O3
Average molar mass: 218.25 g/mol

Names & identifiers

Preferred name: 1-Benzoyloxy-3-hydroxymethyl-2-methylenecyclobutane
IUPAC: [3-(hydroxymethyl)-2-methylidenecyclobutyl] benzoate

Names & synonyms

SCHEMBL9470414OXGNWVXYQSKUSB-UHFFFAOYSA-N1-Benzoyloxy-3-hydroxymethyl-2-methylenecyclobutane

Database identifiers

PubChem CID: 19794316

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 279

Related reactions

6 records

New reaction record

HRID 5958 reaction equation

HRID 5958As productuspto-grants-1993_09

HRID 5959 reaction equation

HRID 5959As reactantuspto-grants-1993_09

HRID 159298 reaction equation

HRID 159298As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 321594 reaction equation

HRID 321594As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 465753 reaction equation

HRID 465753As productuspto-grants-1992_10

HRID 465754 reaction equation

HRID 465754As reactantuspto-grants-1992_10

Compound notes

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