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13330-65-9 molecular structure
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2,4-dimethoxyphenol

ChemBase ID: 68555
Molecular Formular: C8H10O3
Molecular Mass: 154.1632
Monoisotopic Mass: 154.06299418
SMILES and InChIs

SMILES:
c1(c(cc(cc1)OC)OC)O
Canonical SMILES:
COc1ccc(c(c1)OC)O
InChI:
InChI=1S/C8H10O3/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5,9H,1-2H3
InChIKey:
MNVMYTVDDOXZLS-UHFFFAOYSA-N

Cite this record

CBID:68555 http://www.chembase.cn/molecule-68555.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dimethoxyphenol
IUPAC Traditional name
2,4-dimethoxyphenol
Synonyms
2,4-Dimethoxyphenol
CAS Number
13330-65-9
MDL Number
MFCD00060637
PubChem SID
162034286
PubChem CID
593006

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 593006 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.3873625  H Acceptors
H Donor LogD (pH = 5.5) 1.3543323 
LogD (pH = 7.4) 1.3538938  Log P 1.3543379 
Molar Refractivity 40.9653 cm3 Polarizability 15.979849 Å3
Polar Surface Area 38.69 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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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