Home > Compound List > Compound details
6380-24-1 molecular structure
click picture or here to close

1,2-dimethoxy-4-[(1Z)-prop-1-en-1-yl]benzene

ChemBase ID: 305213
Molecular Formular: C11H14O2
Molecular Mass: 178.22766
Monoisotopic Mass: 178.09937969
SMILES and InChIs

SMILES:
c1(c(ccc(c1)/C=C\C)OC)OC
Canonical SMILES:
C/C=C\c1ccc(c(c1)OC)OC
InChI:
InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4-
InChIKey:
NNWHUJCUHAELCL-PLNGDYQASA-N

Cite this record

CBID:305213 http://www.chembase.cn/molecule-305213.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dimethoxy-4-[(1Z)-prop-1-en-1-yl]benzene
IUPAC Traditional name
(Z)-methyl isoeugenol
Synonyms
cis-Methylisoeugenol
CAS Number
6380-24-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP01653
Data Source Data ID Price
BioBioPha
BBP01653 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7812405  LogD (pH = 7.4) 2.7812405 
Log P 2.7812405  Molar Refractivity 54.3442 cm3
Polarizability 20.726831 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
Oil expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle