AMYLMETACRESOL

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 05W904P57F

Structure
InChI Key CKGWFZQGEQJZIL-UHFFFAOYSA-N
Smile CCCCCc1ccc(C)cc1O
InChI
InChI=1S/C12H18O/c1-3-4-5-6-11-8-7-10(2)9-12(11)13/h7-9,13H,3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H18O
Molecular Weight 178.27
AlogP 3.43
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 20.23
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 13.0

Cross References

Resources Reference
ChEBI 48213
ChEMBL CHEMBL1512677
DrugBank DB13908
EPA CompTox DTXSID8046791
FDA SRS 05W904P57F
PubChem 14759
SureChEMBL SCHEMBL302197
ZINC ZINC000002039651
CONTENTS