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1196155-52-8 molecular structure
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(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)methanol

ChemBase ID: 806418
Molecular Formular: C9H9FO2
Molecular Mass: 168.1649632
Monoisotopic Mass: 168.05865775
SMILES and InChIs

SMILES:
C(O)c1cc(cc2CCOc12)F
Canonical SMILES:
OCc1cc(F)cc2c1OCC2
InChI:
InChI=1S/C9H9FO2/c10-8-3-6-1-2-12-9(6)7(4-8)5-11/h3-4,11H,1-2,5H2
InChIKey:
ZFCLOEWAULWEFO-UHFFFAOYSA-N

Cite this record

CBID:806418 http://www.chembase.cn/molecule-806418.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)methanol
IUPAC Traditional name
(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)methanol
Synonyms
(5-FLUORO-2,3-DIHYDROBENZOFURAN-7-YL)METHANOL
CAS Number
1196155-52-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O24058 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O24058 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.551642  H Acceptors
H Donor LogD (pH = 5.5) 1.2308152 
LogD (pH = 7.4) 1.2308152  Log P 1.2308152 
Molar Refractivity 42.8631 cm3 Polarizability 16.048471 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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