Home > Compound List > Compound details
1196147-64-4 molecular structure
click picture or here to close

(6-fluoro-3,4-dihydro-2H-1-benzopyran-8-yl)methanol

ChemBase ID: 806422
Molecular Formular: C10H11FO2
Molecular Mass: 182.1915432
Monoisotopic Mass: 182.07430781
SMILES and InChIs

SMILES:
C(O)c1c2OCCCc2cc(c1)F
Canonical SMILES:
OCc1cc(F)cc2c1OCCC2
InChI:
InChI=1S/C10H11FO2/c11-9-4-7-2-1-3-13-10(7)8(5-9)6-12/h4-5,12H,1-3,6H2
InChIKey:
MLKBJPCYHDAFNJ-UHFFFAOYSA-N

Cite this record

CBID:806422 http://www.chembase.cn/molecule-806422.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(6-fluoro-3,4-dihydro-2H-1-benzopyran-8-yl)methanol
IUPAC Traditional name
(6-fluoro-3,4-dihydro-2H-1-benzopyran-8-yl)methanol
Synonyms
(6-FLUOROCHROMAN-8-YL)METHANOL
CAS Number
1196147-64-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O24062 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O24062 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.565937  H Acceptors
H Donor LogD (pH = 5.5) 1.6753839 
LogD (pH = 7.4) 1.6753838  Log P 1.6753839 
Molar Refractivity 47.4641 cm3 Polarizability 17.8759 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

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle