2-Allyloxymethyl-3-methoxy benzoic acid

HCID 59838649

Substructure search Find similar structures

Basic information

Standard SMILES: C=CCOCc1c(OC)cccc1C(=O)O
InChIKey: JZECWLGHNBOCJN-UHFFFAOYSA-N
Molecular formula: C12H14O4
Average molar mass: 222.24 g/mol

Names & identifiers

Preferred name: 2-Allyloxymethyl-3-methoxy benzoic acid
IUPAC: 3-methoxy-2-(prop-2-enoxymethyl)benzoic acid

Names & synonyms

SCHEMBL668137JZECWLGHNBOCJN-UHFFFAOYSA-N2-allyloxymethyl-3-methoxy benzoic acid

Database identifiers

PubChem CID: 59838649

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 16
Formal charge: 0
Complexity: 239

Related reactions

8 records

New reaction record

HRID 39634 reaction equation

HRID 39634As reactantuspto-grants-2013_09

HRID 134605 reaction equation

HRID 134605As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 229957 reaction equation

HRID 229957As reactantuspto-grants-2009_07

HRID 273448 reaction equation

HRID 273448As reactantuspto-grants-2008_11

HRID 512772 reaction equation

HRID 512772As reactantuspto-grants-2015_08

HRID 1754156 reaction equation

HRID 1754156As reactantuspto-grants-2015_10

HRID 1774023 reaction equation

HRID 1774023As reactantuspto-grants-2016_02

HRID 2199421 reaction equation

HRID 2199421As reactantuspto-grants-2016_06

Linked notes

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