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63644-71-3 molecular structure
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2-methoxy-4-[(1E)-3-methoxyprop-1-en-1-yl]phenol

ChemBase ID: 306115
Molecular Formular: C11H14O3
Molecular Mass: 194.22706
Monoisotopic Mass: 194.09429431
SMILES and InChIs

SMILES:
c1(c(ccc(c1)/C=C/COC)O)OC
Canonical SMILES:
COC/C=C/c1ccc(c(c1)OC)O
InChI:
InChI=1S/C11H14O3/c1-13-7-3-4-9-5-6-10(12)11(8-9)14-2/h3-6,8,12H,7H2,1-2H3/b4-3+
InChIKey:
SBENKNZHVXGNTP-ONEGZZNKSA-N

Cite this record

CBID:306115 http://www.chembase.cn/molecule-306115.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methoxy-4-[(1E)-3-methoxyprop-1-en-1-yl]phenol
IUPAC Traditional name
2-methoxy-4-[(1E)-3-methoxyprop-1-en-1-yl]phenol
Synonyms
γ-Methoxyisoeugenol
CAS Number
63644-71-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP02847
Data Source Data ID Price
BioBioPha
BBP02847 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.977453  H Acceptors
H Donor LogD (pH = 5.5) 1.9976872 
LogD (pH = 7.4) 1.9965616  Log P 1.9977016 
Molar Refractivity 56.3878 cm3 Polarizability 21.337587 Å3
Polar Surface Area 38.69 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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