Ethyl 4-[(7,8-dihydro-5-hydroxy-8,8-dimethyl-5-carboethoxymethylnaphth-2-yl)ethynyl]benzoate

HCID 18314576

Basic information

Standard SMILES
CCOC(=O)CC1(O)CCC(C)(C)c2cc(C#Cc3ccc(C(=O)OCC)cc3)ccc21
InChIKey
XFOPKHFTGFAQES-UHFFFAOYSA-N
Molecular formula
C27H30O5
Average molar mass
434.5 g/mol

Names & identifiers

Preferred name
Ethyl 4-[(7,8-dihydro-5-hydroxy-8,8-dimethyl-5-carboethoxymethylnaphth-2-yl)ethynyl]benzoate
IUPAC
ethyl 4-[2-[5-(2-ethoxy-2-oxoethyl)-5-hydroxy-8,8-dimethyl-6,7-dihydronaphthalen-2-yl]ethynyl]benzoate

Names & synonyms

SCHEMBL7637191XFOPKHFTGFAQES-UHFFFAOYSA-NEthyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethyl-5-carboethoxymethylnaphth-2-yl)ethynyl]benzoateethyl 4-[(7,8-dihydro-5-hydroxy-8,8-dimethyl-5-carboethoxymethylnaphth-2-yl)ethynyl]benzoate

Database identifiers

PubChem CID
18314576

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
72.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
32

Related reactions

23 records

Linked notes

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