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30273-62-2 molecular structure
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(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-ol

ChemBase ID: 305093
Molecular Formular: C12H16O4
Molecular Mass: 224.25304
Monoisotopic Mass: 224.10485899
SMILES and InChIs

SMILES:
c1(c(c(cc(c1)/C=C/CO)OC)OC)OC
Canonical SMILES:
OC/C=C/c1cc(OC)c(c(c1)OC)OC
InChI:
InChI=1S/C12H16O4/c1-14-10-7-9(5-4-6-13)8-11(15-2)12(10)16-3/h4-5,7-8,13H,6H2,1-3H3/b5-4+
InChIKey:
HZDDMDAKGIRCPP-SNAWJCMRSA-N

Cite this record

CBID:305093 http://www.chembase.cn/molecule-305093.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-ol
IUPAC Traditional name
(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-ol
Synonyms
3-(3,4,5-Trimethoxyphenyl)-2-propen-1-ol
3,4,5-Trimethoxycinnamyl alcohol
CAS Number
30273-62-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP01486
Data Source Data ID Price
BioBioPha
BBP01486 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.622575  H Acceptors
H Donor LogD (pH = 5.5) 1.3427979 
LogD (pH = 7.4) 1.3427979  Log P 1.3427979 
Molar Refractivity 62.5821 cm3 Polarizability 23.865238 Å3
Polar Surface Area 47.92 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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