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80909-99-5 molecular structure
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2-{[(2-methoxyphenyl)methoxy]methyl}oxirane

ChemBase ID: 234389
Molecular Formular: C11H14O3
Molecular Mass: 194.22706
Monoisotopic Mass: 194.09429431
SMILES and InChIs

SMILES:
O1C(C1)COCc1c(OC)cccc1
Canonical SMILES:
COc1ccccc1COCC1CO1
InChI:
InChI=1S/C11H14O3/c1-12-11-5-3-2-4-9(11)6-13-7-10-8-14-10/h2-5,10H,6-8H2,1H3
InChIKey:
FADQCEBBTITJBI-UHFFFAOYSA-N

Cite this record

CBID:234389 http://www.chembase.cn/molecule-234389.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{[(2-methoxyphenyl)methoxy]methyl}oxirane
IUPAC Traditional name
2-{[(2-methoxyphenyl)methoxy]methyl}oxirane
Synonyms
2-{[(2-methoxybenzyl)oxy]methyl}oxirane
CAS Number
80909-99-5
MDL Number
MFCD06357343
PubChem SID
164290299
PubChem CID
4339589

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-09432 external link Add to cart Please log in.
Data Source Data ID
PubChem 4339589 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5326179  LogD (pH = 7.4) 1.5326179 
Log P 1.5326179  Molar Refractivity 52.833 cm3
Polarizability 20.86447 Å3 Polar Surface Area 30.99 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
176 - 178°C expand Show data source
Hydrophobicity(logP)
1.56 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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