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1217724-80-5 molecular structure
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(2R)-2-{[(4-methoxynaphthalen-1-yl)oxy]methyl}oxirane

ChemBase ID: 173061
Molecular Formular: C14H14O3
Molecular Mass: 230.25916
Monoisotopic Mass: 230.09429431
SMILES and InChIs

SMILES:
c1cccc2c1c(ccc2OC)OC[C@@H]1OC1
Canonical SMILES:
COc1ccc(c2c1cccc2)OC[C@H]1CO1
InChI:
InChI=1S/C14H14O3/c1-15-13-6-7-14(17-9-10-8-16-10)12-5-3-2-4-11(12)13/h2-7,10H,8-9H2,1H3/t10-/m1/s1
InChIKey:
AVLUBEJQNBBJCK-SNVBAGLBSA-N

Cite this record

CBID:173061 http://www.chembase.cn/molecule-173061.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-{[(4-methoxynaphthalen-1-yl)oxy]methyl}oxirane
IUPAC Traditional name
(2R)-2-{[(4-methoxynaphthalen-1-yl)oxy]methyl}oxirane
Synonyms
(R)-1-(2,3-Epoxypropoxy)-4-methoxynaphthalene
(R)-2-[[(4-Methoxy-1-naphthalenyl)oxy]methyl]oxirane
CAS Number
1217724-80-5
PubChem SID
164228971
PubChem CID
46782163

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC M264720 external link Add to cart
PubChem 46782163 external link
Data Source Data ID Price
TRC
M264720 external link Add to cart Please log in.
Data Source Data ID
PubChem 46782163 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4886467  LogD (pH = 7.4) 2.4886467 
Log P 2.4886467  Molar Refractivity 64.1793 cm3
Polarizability 26.529057 Å3 Polar Surface Area 30.99 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Methanol expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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