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356040-80-7 molecular structure
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(2,4-dimethylphenyl)(4-fluorophenyl)methanol

ChemBase ID: 169186
Molecular Formular: C15H15FO
Molecular Mass: 230.2774032
Monoisotopic Mass: 230.11069332
SMILES and InChIs

SMILES:
c1cc(ccc1C(c1ccc(cc1C)C)O)F
Canonical SMILES:
Fc1ccc(cc1)C(c1ccc(cc1C)C)O
InChI:
InChI=1S/C15H15FO/c1-10-3-8-14(11(2)9-10)15(17)12-4-6-13(16)7-5-12/h3-9,15,17H,1-2H3
InChIKey:
NHZCILHYYQVWCB-UHFFFAOYSA-N

Cite this record

CBID:169186 http://www.chembase.cn/molecule-169186.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2,4-dimethylphenyl)(4-fluorophenyl)methanol
IUPAC Traditional name
(2,4-dimethylphenyl)(4-fluorophenyl)methanol
Synonyms
(2,4-Dimethylphenyl)(4-fluorophenyl)methanol
α-(4-Fluorophenyl)-2,4-dimethylbenzenemethanol
CAS Number
356040-80-7
PubChem SID
162263318
PubChem CID
9899421

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC F595320 external link Add to cart
PubChem 9899421 external link
Data Source Data ID Price
TRC
F595320 external link Add to cart Please log in.
Data Source Data ID
PubChem 9899421 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.753144  H Acceptors
H Donor LogD (pH = 5.5) 4.159681 
LogD (pH = 7.4) 4.159681  Log P 4.159681 
Molar Refractivity 67.4555 cm3 Polarizability 25.548456 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Apperance
Light Yellow Liquid expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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