Methyl 4-(3,4-dimethoxybenzyloxy)-3-chlorobenzoate

HCID 57796893
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Basic information

Standard SMILES
COC(=O)c1ccc(OCc2ccc(OC)c(OC)c2)c(Cl)c1
InChIKey
XICOXTDJXVVTAT-UHFFFAOYSA-N
Molecular formula
C17H17ClO5
Average molar mass
336.8 g/mol

Names & identifiers

Preferred name
Methyl 4-(3,4-dimethoxybenzyloxy)-3-chlorobenzoate
IUPAC
methyl 3-chloro-4-[(3,4-dimethoxyphenyl)methoxy]benzoate

Names & synonyms

SCHEMBL4268320XICOXTDJXVVTAT-UHFFFAOYSA-Nmethyl 4-(3,4-dimethoxybenzyloxy)-3-chlorobenzoate

Database identifiers

PubChem CID
57796893

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
54 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
23

Related reactions

4 records
New reaction record

Linked notes

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