Methyl 4-(2-cyclopropyl-1-hydroxyethyl)benzoate

HCID 68178576

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)c1ccc(C(O)CC2CC2)cc1
InChIKey: FORTUDDXCHVETJ-UHFFFAOYSA-N
Molecular formula: C13H16O3
Average molar mass: 220.26 g/mol

Names & identifiers

Preferred name: Methyl 4-(2-cyclopropyl-1-hydroxyethyl)benzoate
IUPAC: methyl 4-(2-cyclopropyl-1-hydroxyethyl)benzoate

Names & synonyms

1393125-37-5(+/-)-methyl 4-(2-cyclopropyl-1-hydroxyethyl)benzoatemethyl 4-(2-cyclopropyl-1-hydroxyethyl)benzoateSCHEMBL11962611FORTUDDXCHVETJ-UHFFFAOYSA-NDA-32611

Database identifiers

PubChem CID: 68178576

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 240

Related reactions

4 records

New reaction record

HRID 537432As productuspto-grants-2014_10

HRID 1520805As productuspto-grants-2015_07

HRID 1892645As productuspto-grants-2013_08

HRID 2133167As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

Loading…