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32846-01-8 molecular structure
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3-(2-methoxyethyl)phenol

ChemBase ID: 172956
Molecular Formular: C9H12O2
Molecular Mass: 152.19038
Monoisotopic Mass: 152.08372962
SMILES and InChIs

SMILES:
c1cc(cc(c1)CCOC)O
Canonical SMILES:
COCCc1cccc(c1)O
InChI:
InChI=1S/C9H12O2/c1-11-6-5-8-3-2-4-9(10)7-8/h2-4,7,10H,5-6H2,1H3
InChIKey:
UKYIABNYSBNFHT-UHFFFAOYSA-N

Cite this record

CBID:172956 http://www.chembase.cn/molecule-172956.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(2-methoxyethyl)phenol
IUPAC Traditional name
3-(2-methoxyethyl)phenol
Synonyms
m-(2-Methoxyethyl)phenol
3-(2-Methoxyethyl)phenol
CAS Number
32846-01-8
PubChem SID
164228866
PubChem CID
5224377

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M262585 external link Add to cart
PubChem 5224377 external link
Data Source Data ID Price
TRC
M262585 external link Add to cart Please log in.
Data Source Data ID
PubChem 5224377 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.056548  H Acceptors
H Donor LogD (pH = 5.5) 1.8341064 
LogD (pH = 7.4) 1.8331673  Log P 1.8341185 
Molar Refractivity 44.361 cm3 Polarizability 17.067642 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M262585 external link
3-(2-Methoxyethyl)phenols is an impurity of Metoprolol.

REFERENCES

REFERENCES

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  • • Casy, A.F., et al.: Progress in Medicinal Chemistry, 7, 229 (1970)
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PATENTS

PATENTS

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INTERNET

INTERNET

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