Methyl 6-(4-acetyl-3-hydroxy-2-propylphenoxy)hexanoate

HCID 14330007CAS 88420-36-4

Basic information

Standard SMILES
CCCc1c(OCCCCCC(=O)OC)ccc(C(C)=O)c1O
InChIKey
VCDSWJUUMCRNLT-UHFFFAOYSA-N
Molecular formula
C18H26O5
Average molar mass
322.4 g/mol
Monoisotopic mass
322.17802393

Names & identifiers

Preferred name
Methyl 6-(4-acetyl-3-hydroxy-2-propylphenoxy)hexanoate
IUPAC
methyl 6-(4-acetyl-3-hydroxy-2-propylphenoxy)hexanoate

Names & synonyms

88420-36-46-(4-acetyl-3-hydroxy-2-propylphenoxy)hexanoic acid methyl esterMETHYL 6-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY)HEXANOATESCHEMBL10685300DTXSID10559019VCDSWJUUMCRNLT-UHFFFAOYSA-NDB-1860376-(4-Acetyl-3-hydroxy-2-propylphenoxy) hexanoic acid methyl ester

Database identifiers

CAS
88420-36-4
PubChem CID
14330007
DTXSID
DTXSID10559019

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
72.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
11
Heavy atoms
23

Related reactions

11 records

Linked notes

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