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139697-88-4 molecular structure
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[2-(furan-2-yl)phenyl]methanol

ChemBase ID: 92622
Molecular Formular: C11H10O2
Molecular Mass: 174.1959
Monoisotopic Mass: 174.06807956
SMILES and InChIs

SMILES:
o1cccc1c1ccccc1CO
Canonical SMILES:
OCc1ccccc1c1ccco1
InChI:
InChI=1S/C11H10O2/c12-8-9-4-1-2-5-10(9)11-6-3-7-13-11/h1-7,12H,8H2
InChIKey:
NBLMKRIYULDNBF-UHFFFAOYSA-N

Cite this record

CBID:92622 http://www.chembase.cn/molecule-92622.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(furan-2-yl)phenyl]methanol
IUPAC Traditional name
[2-(furan-2-yl)phenyl]methanol
Synonyms
[2-(2-furyl)phenyl]methanol
[2-(Fur-2-yl)phenyl]methanol
2-(Fur-2-yl)benzyl alcohol 97%
CAS Number
139697-88-4
MDL Number
MFCD06203101
PubChem SID
162079320
PubChem CID
10855985

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 10855985 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.070714  H Acceptors
H Donor LogD (pH = 5.5) 1.9133681 
LogD (pH = 7.4) 1.913368  Log P 1.9133681 
Molar Refractivity 50.401 cm3 Polarizability 20.628414 Å3
Polar Surface Area 33.37 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
85-86.5°C expand Show data source
Storage Warning
Harmful/Toxic expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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