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1142-15-0 molecular structure
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1-methoxy-4-(2-phenylethenyl)benzene

ChemBase ID: 89467
Molecular Formular: C15H14O
Molecular Mass: 210.27106
Monoisotopic Mass: 210.10446507
SMILES and InChIs

SMILES:
O(c1ccc(cc1)/C=C/c1ccccc1)C
Canonical SMILES:
COc1ccc(cc1)/C=C/c1ccccc1
InChI:
InChI=1S/C15H14O/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H,1H3
InChIKey:
XWYXLYCDZKRCAD-UHFFFAOYSA-N

Cite this record

CBID:89467 http://www.chembase.cn/molecule-89467.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methoxy-4-(2-phenylethenyl)benzene
IUPAC Traditional name
p-methoxystilbene
Synonyms
4-Methoxystilbene
4-Methoxy-trans-stilbene 95%
4-甲氧基芪
CAS Number
1142-15-0
EC Number
214-530-7
MDL Number
MFCD00017178
PubChem SID
162076347
PubChem CID
1245920

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1245920 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.1554155  LogD (pH = 7.4) 4.1554155 
Log P 4.1554155  Molar Refractivity 67.976 cm3
Polarizability 26.113146 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
134-136°C expand Show data source
136-138°C expand Show data source
Storage Warning
Irritant expand Show data source
TSCA Listed
expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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