3-Cyclopentyl-2-[4-(3-hydroxy-prop-1-ynyl)-phenyl]-propionic acid methyl ester

HCID 67484116
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Basic information

Standard SMILES
COC(=O)C(CC1CCCC1)c1ccc(C#CCO)cc1
InChIKey
MEYJRTZQSSPPMN-UHFFFAOYSA-N
Molecular formula
C18H22O3
Average molar mass
286.4 g/mol

Names & identifiers

Preferred name
3-Cyclopentyl-2-[4-(3-hydroxy-prop-1-ynyl)-phenyl]-propionic acid methyl ester
IUPAC
methyl 3-cyclopentyl-2-[4-(3-hydroxyprop-1-ynyl)phenyl]propanoate

Names & synonyms

SCHEMBL2651907MEYJRTZQSSPPMN-UHFFFAOYSA-N3-cyclopentyl-2-[4-(3-hydroxy-prop-1-ynyl)-phenyl]-propionic acid methyl ester

Database identifiers

PubChem CID
67484116

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
21

Related reactions

4 records
New reaction record

Compound notes

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