3-(4-Benzyloxy-phenyl)-2-ethoxy-propionic acid methyl ester

HCID 21930962

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(Cc1ccc(OCc2ccccc2)cc1)C(=O)OC
InChIKey: KVRVQQFBCPDJHB-UHFFFAOYSA-N
Molecular formula: C19H22O4
Average molar mass: 314.4 g/mol
Monoisotopic mass: 314.15180918

Names & identifiers

Preferred name: 3-(4-Benzyloxy-phenyl)-2-ethoxy-propionic acid methyl ester
IUPAC: methyl 2-ethoxy-3-(4-phenylmethoxyphenyl)propanoate

Names & synonyms

SCHEMBL5364064KVRVQQFBCPDJHB-UHFFFAOYSA-Nmethyl 3-[4-benzyloxyphenyl)-2-ethoxypropanoate3-(4-Benzyloxy-phenyl)-2-ethoxy-propionic acid methyl ester

Database identifiers

PubChem CID: 21930962

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 44.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 9
Heavy atoms: 23
Formal charge: 0
Complexity: 330

Related reactions

8 records

New reaction record

HRID 141580As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 178460As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 459395As productuspto-grants-2007_03

HRID 459396As reactantuspto-grants-2007_03

HRID 681611As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1353204As productuspto-grants-2007_05

HRID 1353205As reactantuspto-grants-2007_05

HRID 2305318As reactantuspto-grants-2002_08

Compound notes

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