Benzoic acid, 4-hydroxy-, 2-methylbutyl ester

HCID 13530949

Basic information

Standard SMILES
CCC(C)COC(=O)c1ccc(O)cc1
InChIKey
YCVMFKRVGOAHAA-UHFFFAOYSA-N
Molecular formula
C12H16O3
Average molar mass
208.25 g/mol

Names & identifiers

Preferred name
Benzoic acid, 4-hydroxy-, 2-methylbutyl ester
IUPAC
2-methylbutyl 4-hydroxybenzoate

Names & synonyms

2-methylbutyl p-hydroxybenzoateSCHEMBL71309732-methylbutyl-4-hydroxybenzoate2-METHYLBUTYL 4-HYDROXYBENZOATE4-hydroxybenzoic acid 2-methylbutyl esterp-hydroxybenzoic acid 2-methylbutyl esterp-hydroxybenzoic acid 2-methyl-butyl esterp-hydroxy-benzoic acid 2-methyl-butyl esterBenzoic acid, 4-hydroxy-, 2-methylbutyl ester

Database identifiers

PubChem CID
13530949

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
15

Related reactions

28 records

Linked notes

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