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64977-30-6 molecular structure
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(2-fluoro-5-methylphenyl)methanol

ChemBase ID: 180082
Molecular Formular: C8H9FO
Molecular Mass: 140.1548632
Monoisotopic Mass: 140.06374313
SMILES and InChIs

SMILES:
C(c1c(ccc(c1)C)F)O
Canonical SMILES:
OCc1cc(C)ccc1F
InChI:
InChI=1S/C8H9FO/c1-6-2-3-8(9)7(4-6)5-10/h2-4,10H,5H2,1H3
InChIKey:
KJNSKKLMCXORGH-UHFFFAOYSA-N

Cite this record

CBID:180082 http://www.chembase.cn/molecule-180082.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-fluoro-5-methylphenyl)methanol
IUPAC Traditional name
(2-fluoro-5-methylphenyl)methanol
Synonyms
2-Fluoro-5-methylbenzyl alcohol
CAS Number
64977-30-6
PubChem SID
164235992
PubChem CID
12407611

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Chemik
CHB63211 external link Add to cart Please log in.
Data Source Data ID
PubChem 12407611 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.585021  H Acceptors
H Donor LogD (pH = 5.5) 1.8620194 
LogD (pH = 7.4) 1.8620193  Log P 1.8620194 
Molar Refractivity 38.1315 cm3 Polarizability 14.213676 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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