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34904-99-9 molecular structure
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[3-(phenoxymethyl)phenyl]methanol

ChemBase ID: 101452
Molecular Formular: C14H14O2
Molecular Mass: 214.25976
Monoisotopic Mass: 214.09937969
SMILES and InChIs

SMILES:
O(Cc1cc(CO)ccc1)c1ccccc1
Canonical SMILES:
OCc1cccc(c1)COc1ccccc1
InChI:
InChI=1S/C14H14O2/c15-10-12-5-4-6-13(9-12)11-16-14-7-2-1-3-8-14/h1-9,15H,10-11H2
InChIKey:
ZKZSJQJXKWKOJY-UHFFFAOYSA-N

Cite this record

CBID:101452 http://www.chembase.cn/molecule-101452.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[3-(phenoxymethyl)phenyl]methanol
IUPAC Traditional name
[3-(phenoxymethyl)phenyl]methanol
Synonyms
[3-(phenoxymethyl)phenyl]methanol
CAS Number
34904-99-9
MDL Number
MFCD09025916
PubChem SID
162087970
PubChem CID
12399930

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Maybridge
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Data Source Data ID
PubChem 12399930 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.977871  H Acceptors
H Donor LogD (pH = 5.5) 2.772698 
LogD (pH = 7.4) 2.772698  Log P 2.772698 
Molar Refractivity 63.9497 cm3 Polarizability 24.907013 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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