(2-Propyl-phenoxy)-acetic Acid Ethyl Ester

HCID 20768112

Notes Reactions

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Basic information

CAS: 101267-74-7
Standard SMILES: CCCc1ccccc1OCC(=O)OCC
InChIKey: ARELVDREYPBQPZ-UHFFFAOYSA-N
Molecular formula: C13H18O3
Average molar mass: 222.28 g/mol
Monoisotopic mass: 222.12559443

Names & identifiers

Preferred name: (2-Propyl-phenoxy)-acetic Acid Ethyl Ester
IUPAC: ethyl 2-(2-propylphenoxy)acetate

Names & synonyms

(2-Propyl-phenoxy)-acetic Acid Ethyl Ester101267-74-7ethyl (2-propylphenoxy)acetateSCHEMBL2871402ARELVDREYPBQPZ-UHFFFAOYSA-Nethyl 2-(2-propylphenoxy)acetateDTXSID3013013252-Propylphenoxy-acetic acid ethyl ester

Database identifiers

CAS: 101267-74-7
PubChem CID: 20768112
DTXSID: DTXSID301301325

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 16
Formal charge: 0
Complexity: 203

Related reactions

12 records

New reaction record

HRID 94432As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 288807As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 663837As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 898482As productuspto-grants-2008_04

HRID 898483As reactantuspto-grants-2008_04

HRID 985039As productuspto-grants-2005_03

HRID 985040As reactantuspto-grants-2005_03

HRID 1609980As productuspto-grants-2006_01

Compound notes

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