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183210-33-5 molecular structure
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(5-methyl-2-phenylfuran-3-yl)methanol

ChemBase ID: 92828
Molecular Formular: C12H12O2
Molecular Mass: 188.22248
Monoisotopic Mass: 188.08372962
SMILES and InChIs

SMILES:
o1c(c(cc1C)CO)c1ccccc1
Canonical SMILES:
OCc1cc(oc1c1ccccc1)C
InChI:
InChI=1S/C12H12O2/c1-9-7-11(8-13)12(14-9)10-5-3-2-4-6-10/h2-7,13H,8H2,1H3
InChIKey:
VZFFMWAZPODJRX-UHFFFAOYSA-N

Cite this record

CBID:92828 http://www.chembase.cn/molecule-92828.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-methyl-2-phenylfuran-3-yl)methanol
IUPAC Traditional name
(5-methyl-2-phenylfuran-3-yl)methanol
Synonyms
(5-methyl-2-phenyl-3-furyl)methanol
(5-Methyl-2-phenyl-3-furyl)methanol 95%
CAS Number
183210-33-5
MDL Number
MFCD08435905
PubChem SID
162079526
PubChem CID
15269738

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 15269738 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.837695  H Acceptors
H Donor LogD (pH = 5.5) 2.1129293 
LogD (pH = 7.4) 2.1129293  Log P 2.1129293 
Molar Refractivity 55.5507 cm3 Polarizability 22.393938 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
55.5-58.5°C expand Show data source
Storage Warning
Irritant expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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