Dimethyl 2-(4-methylnaphthalen-1-yl)isophthalate

HCID 58260548
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Basic information

Standard SMILES
COC(=O)c1cccc(C(=O)OC)c1-c1ccc(C)c2ccccc12
InChIKey
VSHZYSWQTMIBKN-UHFFFAOYSA-N
Molecular formula
C21H18O4
Average molar mass
334.4 g/mol
Monoisotopic mass
334.12050905

Names & identifiers

Preferred name
Dimethyl 2-(4-methylnaphthalen-1-yl)isophthalate
IUPAC
dimethyl 2-(4-methylnaphthalen-1-yl)benzene-1,3-dicarboxylate

Names & synonyms

SCHEMBL1772394VSHZYSWQTMIBKN-UHFFFAOYSA-Ndimethyl 2-(4-methylnaphthalen-1-yl)isophthalate

Database identifiers

PubChem CID
58260548

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
25

Related reactions

1 records
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Compound notes

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