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108166-02-5 molecular structure
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(2-methylquinolin-6-yl)methanol

ChemBase ID: 77271
Molecular Formular: C11H11NO
Molecular Mass: 173.21114
Monoisotopic Mass: 173.08406398
SMILES and InChIs

SMILES:
n1c2ccc(cc2ccc1C)CO
Canonical SMILES:
OCc1ccc2c(c1)ccc(n2)C
InChI:
InChI=1S/C11H11NO/c1-8-2-4-10-6-9(7-13)3-5-11(10)12-8/h2-6,13H,7H2,1H3
InChIKey:
HLFYJILNIBADGG-UHFFFAOYSA-N

Cite this record

CBID:77271 http://www.chembase.cn/molecule-77271.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-methylquinolin-6-yl)methanol
IUPAC Traditional name
(2-methylquinolin-6-yl)methanol
Synonyms
(2-Methylquinolin-6-yl)methanol
6-(Hydroxymethyl)-2-methyl-1-azanaphthalene
6-(Hydroxymethyl)-2-methylquinoline
(2-methyl-6-quinolinyl)methanol
(2-Methylquinolin-6-yl)methanol
CAS Number
108166-02-5
MDL Number
MFCD06659066
PubChem SID
162042144
PubChem CID
2795481

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.9543495  H Acceptors
H Donor LogD (pH = 5.5) 1.3516952 
LogD (pH = 7.4) 1.4927771  Log P 1.4949208 
Molar Refractivity 51.3867 cm3 Polarizability 21.215466 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
136-139°C expand Show data source
Storage Warning
Harmful expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
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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