3-(3-Methyl-benzyloxy)-phthalic acid dimethyl ester

HCID 66906352
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Basic information

Standard SMILES
COC(=O)c1cccc(OCc2cccc(C)c2)c1C(=O)OC
InChIKey
JOCJXOOZCOOCNR-UHFFFAOYSA-N
Molecular formula
C18H18O5
Average molar mass
314.3 g/mol

Names & identifiers

Preferred name
3-(3-Methyl-benzyloxy)-phthalic acid dimethyl ester
IUPAC
dimethyl 3-[(3-methylphenyl)methoxy]benzene-1,2-dicarboxylate

Names & synonyms

SCHEMBL1097116JOCJXOOZCOOCNR-UHFFFAOYSA-N3-(3-methyl-benzyloxy)-phthalic acid dimethyl ester

Database identifiers

PubChem CID
66906352

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
61.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
23

Related reactions

7 records
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Compound notes

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