Methyl 4'-methoxy-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)biphenyl-4-carboxylate

HCID 67057751
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Basic information

Standard SMILES
COC(=O)c1ccc(-c2ccc(OC)cc2)c(C)c1B1OC(C)(C)C(C)(C)O1
InChIKey
PKOJEMPQFHOCRJ-UHFFFAOYSA-N
Molecular formula
C22H27BO5
Average molar mass
382.3 g/mol

Names & identifiers

Preferred name
Methyl 4'-methoxy-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)biphenyl-4-carboxylate
IUPAC
methyl 4-(4-methoxyphenyl)-3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Names & synonyms

SCHEMBL1506629PKOJEMPQFHOCRJ-UHFFFAOYSA-Nmethyl 4'-methoxy-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)biphenyl-4-carboxylate

Database identifiers

PubChem CID
67057751

Properties

Computed structural properties

Topological polar surface area
54 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
28

Related reactions

1 records
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Compound notes

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Methyl 4'-methoxy-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)biphenyl-4-carboxylate (HCID 67057751)｜Huagongshe