Methyl 4-bromo-3-(tetrahydropyran-2-yloxy)benzoate

HCID 16747841

Basic information

Standard SMILES
COC(=O)c1ccc(Br)c(OC2CCCCO2)c1
InChIKey
SRCOYUDAZAKWHF-UHFFFAOYSA-N
Molecular formula
C13H15BrO4
Average molar mass
315.16 g/mol
Monoisotopic mass
314.01537

Names & identifiers

Preferred name
Methyl 4-bromo-3-(tetrahydropyran-2-yloxy)benzoate
IUPAC
methyl 4-bromo-3-(oxan-2-yloxy)benzoate

Names & synonyms

870779-63-8Benzoic acid, 4-bromo-3-[(tetrahydro-2H-pyran-2-yl)oxy]-, methyl estermethyl 4-bromo-3-(tetrahydropyran-2-yloxy)benzoatemethyl 4-bromo-3-(oxan-2-yloxy)benzoateSCHEMBL2060107SCHEMBL29377172SRCOYUDAZAKWHF-UHFFFAOYSA-NMFCD26400006DB-319996methyl 4-bromo-3-tetrahydropyran-2-yloxy-benzoateA1-06522Methyl 4-bromo-3-(tetrahydro-2H-pyran-2-yloxy)benzoate

Database identifiers

PubChem CID
16747841

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
18

Related reactions

6 records

Linked notes

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