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2-(2-Benzyloxyphenyl)-2-methylpropionic acid methyl ester

HCID 22980960
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)C(C)(C)c1ccccc1OCc1ccccc1
InChIKey
FARFHVNRQOMABG-UHFFFAOYSA-N
Molecular formula
C18H20O3
Average molar mass
284.3 g/mol

Names & identifiers

Preferred name
2-(2-Benzyloxyphenyl)-2-methylpropionic acid methyl ester
IUPAC
methyl 2-methyl-2-(2-phenylmethoxyphenyl)propanoate

Names & synonyms

SCHEMBL6678156FARFHVNRQOMABG-UHFFFAOYSA-N2-(2-benzyloxyphenyl)-2-methylpropionic acid methyl ester

Database identifiers

PubChem CID
22980960

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
21
Formal charge
0
Complexity
331

Related reactions

4 records
New reaction record
HRID 206311 reaction equation
HRID 206311As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 214638 reaction equation
HRID 214638As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1861966 reaction equation
HRID 1861966As productuspto-grants-2003_03
HRID 1861967 reaction equation
HRID 1861967As reactantuspto-grants-2003_03

Compound notes

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