2-(3,4-Dichloro-phenyl)-3-[3-(tetrahydro-pyran-2-yloxy)-cyclopentyl]-propionic acid methyl ester

HCID 67482108

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)C(CC1CCC(OC2CCCCO2)C1)c1ccc(Cl)c(Cl)c1
InChIKey: KYEDKMOOLHVUSO-UHFFFAOYSA-N
Molecular formula: C20H26Cl2O4
Average molar mass: 401.3 g/mol

Names & identifiers

Preferred name: 2-(3,4-Dichloro-phenyl)-3-[3-(tetrahydro-pyran-2-yloxy)-cyclopentyl]-propionic acid methyl ester
IUPAC: methyl 2-(3,4-dichlorophenyl)-3-[3-(oxan-2-yloxy)cyclopentyl]propanoate

Names & synonyms

SCHEMBL2642148KYEDKMOOLHVUSO-UHFFFAOYSA-N2-(3,4-dichloro-phenyl)-3-[3-(tetrahydro-pyran-2-yloxy)-cyclopentyl]-propionic acid methyl ester

Database identifiers

PubChem CID: 67482108

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 44.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 26
Formal charge: 0
Complexity: 461

Related reactions

9 records

New reaction record

HRID 854792As productuspto-grants-2007_08

HRID 854793As reactantuspto-grants-2007_08

HRID 854795As reactantuspto-grants-2007_08

HRID 1119668As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1210596As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2156411As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2214083As productuspto-grants-2006_09

HRID 2214084As reactantuspto-grants-2006_09

Compound notes

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