5-[3-(Ethoxycarbonyl)benzoyl]-2-hydroxybenzenepropanoic acid ethyl ester

HCID 14739657

Basic information

Standard SMILES
CCOC(=O)CCc1cc(C(=O)c2cccc(C(=O)OCC)c2)ccc1O
InChIKey
YAKHUXMALDALPU-UHFFFAOYSA-N
Molecular formula
C21H22O6
Average molar mass
370.4 g/mol

Names & identifiers

Preferred name
5-[3-(Ethoxycarbonyl)benzoyl]-2-hydroxybenzenepropanoic acid ethyl ester
IUPAC
ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoyl]benzoate

Names & synonyms

SCHEMBL8949618YAKHUXMALDALPU-UHFFFAOYSA-N5-[3(ethoxycarbonyl)benzoyl]-2-hydroxybenzenepropanoic acid ethyl ester5-[3-(ethoxycarbonyl)benzoyl]-2-hydroxybenzenepropanoic acid ethyl ester5-[[3-(ethoxycarbonyl)phenyl]carbonyl]-2-hydroxybenzenepropanoic acid ethyl ester

Database identifiers

PubChem CID
14739657

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
89.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
27

Related reactions

19 records

Compound notes

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