2-Biphenyl-4-ylmethyl-succinic acid 4-tert-butyl ester 1-methyl ester

HCID 68424697
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Basic information

Standard SMILES
COC(=O)C(CC(=O)OC(C)(C)C)Cc1ccc(-c2ccccc2)cc1
InChIKey
AHMKQJSMANBIEK-UHFFFAOYSA-N
Molecular formula
C22H26O4
Average molar mass
354.4 g/mol

Names & identifiers

Preferred name
2-Biphenyl-4-ylmethyl-succinic acid 4-tert-butyl ester 1-methyl ester
IUPAC
4-O-tert-butyl 1-O-methyl 2-[(4-phenylphenyl)methyl]butanedioate

Names & synonyms

SCHEMBL2876345AHMKQJSMANBIEK-UHFFFAOYSA-N2-biphenyl-4-ylmethyl-succinic acid 4-tert-butyl ester 1-methyl ester

Database identifiers

PubChem CID
68424697

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
26

Related reactions

5 records
New reaction record

Compound notes

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