Benzoic acid, 4-hydroxy-, (2S)-2-methylbutyl ester

HCID 13530950CAS 85394-10-1

Basic information

Standard SMILES
CC[C@H](C)COC(=O)c1ccc(O)cc1
InChIKey
YCVMFKRVGOAHAA-VIFPVBQESA-N
Molecular formula
C12H16O3
Average molar mass
208.25 g/mol
Monoisotopic mass
208.10994437

Names & identifiers

Preferred name
Benzoic acid, 4-hydroxy-, (2S)-2-methylbutyl ester
IUPAC
[(2S)-2-methylbutyl] 4-hydroxybenzoate

Names & synonyms

85394-10-1Benzoic acid, 4-hydroxy-, (2S)-2-methylbutyl ester(2S)-2-Methylbutyl 4-hydroxybenzoate[(2S)-2-methylbutyl] 4-hydroxybenzoateSCHEMBL6937249DTXSID90543097YCVMFKRVGOAHAA-VIFPVBQESA-N(S)-2-methylbutyl 4 hydroxybenzoate(S)-2-methylbutyl 4-hydroxybenzoate4-[(S)-2-methyl butoxycarbonyl]phenol

Database identifiers

CAS
85394-10-1
PubChem CID
13530950
DTXSID
DTXSID90543097
Nikkaji
J1.013.373D

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

7 records

Linked notes

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