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[2-fluoro-5-(quinolin-3-yl)phenyl]methanol

ChemBase ID: 340813
Molecular Formular: C16H12FNO
Molecular Mass: 253.2709832
Monoisotopic Mass: 253.09029223
SMILES and InChIs

SMILES:
n1cc(c2cc(c(cc2)F)CO)cc2c1cccc2
Canonical SMILES:
OCc1cc(ccc1F)c1cnc2c(c1)cccc2
InChI:
InChI=1S/C16H12FNO/c17-15-6-5-11(7-14(15)10-19)13-8-12-3-1-2-4-16(12)18-9-13/h1-9,19H,10H2
InChIKey:
MPURALMHJFCKLN-UHFFFAOYSA-N

Cite this record

CBID:340813 http://www.chembase.cn/molecule-340813.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-fluoro-5-(quinolin-3-yl)phenyl]methanol
IUPAC Traditional name
[2-fluoro-5-(quinolin-3-yl)phenyl]methanol
Synonyms
(2-fluoro-5-quinolin-3-ylphenyl)methanol

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13931448 external link Add to cart
Data Source Data ID Price
ChemBridge
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.476082  H Acceptors
H Donor LogD (pH = 5.5) 3.138848 
LogD (pH = 7.4) 3.1532903  Log P 3.153478 
Molar Refractivity 72.1478 cm3 Polarizability 30.051796 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.04  LOG S -3.64 
Polar Surface Area 33.12 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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