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933786-79-9 molecular structure
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{4-[4-(trifluoromethyl)phenoxy]phenyl}methanol

ChemBase ID: 292432
Molecular Formular: C14H11F3O2
Molecular Mass: 268.2311496
Monoisotopic Mass: 268.07111425
SMILES and InChIs

SMILES:
OCc1ccc(Oc2ccc(cc2)C(F)(F)F)cc1
Canonical SMILES:
OCc1ccc(cc1)Oc1ccc(cc1)C(F)(F)F
InChI:
InChI=1S/C14H11F3O2/c15-14(16,17)11-3-7-13(8-4-11)19-12-5-1-10(9-18)2-6-12/h1-8,18H,9H2
InChIKey:
DFIYQZIHZLMLHU-UHFFFAOYSA-N

Cite this record

CBID:292432 http://www.chembase.cn/molecule-292432.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{4-[4-(trifluoromethyl)phenoxy]phenyl}methanol
IUPAC Traditional name
{4-[4-(trifluoromethyl)phenoxy]phenyl}methanol
Synonyms
(4-(4-(Trifluoromethyl)phenoxy)phenyl)methanol
CAS Number
933786-79-9
PubChem SID
180677963
PubChem CID
57543181

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241256 Please log in.
Data Source Data ID
PubChem 57543181 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.996395  H Acceptors
H Donor LogD (pH = 5.5) 3.5840318 
LogD (pH = 7.4) 3.5840318  Log P 3.5840318 
Molar Refractivity 65.0884 cm3 Polarizability 24.169325 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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