Ethyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-3-yl)ethynyl]benzoate

HCID 3025972

Basic information

Standard SMILES
CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(O)CCC3(C)C)cc1
InChIKey
RKAVXDSAMZQAFH-UHFFFAOYSA-N
Molecular formula
C23H24O3
Average molar mass
348.4 g/mol

Names & identifiers

Preferred name
Ethyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-3-yl)ethynyl]benzoate
IUPAC
ethyl 4-[2-(8-hydroxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethynyl]benzoate

Names & synonyms

SCHEMBL7636118RKAVXDSAMZQAFH-UHFFFAOYSA-NEthyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethyl-naphth-3-yl)ethynyl]benzoateEthyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-3-yl ) ethynyl]benzoateEthyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-3-yl)ethynyl]benzoate

Database identifiers

PubChem CID
3025972

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
26

Related reactions

11 records

Compound notes

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