Methyl 5-(3-chloro-2,4-dihydroxyphenyl)pentanoate

HCID 57712912
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)CCCCc1ccc(O)c(Cl)c1O
InChIKey
KEQKJOMEWDSGOE-UHFFFAOYSA-N
Molecular formula
C12H15ClO4
Average molar mass
258.7 g/mol

Names & identifiers

Preferred name
Methyl 5-(3-chloro-2,4-dihydroxyphenyl)pentanoate
IUPAC
methyl 5-(3-chloro-2,4-dihydroxyphenyl)pentanoate

Names & synonyms

SCHEMBL4431958KEQKJOMEWDSGOE-UHFFFAOYSA-Nmethyl 5-(3-chloro-2,4-dihydroxyphenyl)pentanoate

Database identifiers

PubChem CID
57712912

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
66.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
17

Related reactions

2 records
New reaction record

Compound notes

Loading…