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74495-69-5 molecular structure
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2-(2H3)methoxyphenol

ChemBase ID: 173091
Molecular Formular: C7H8O2
Molecular Mass: 124.13722
Monoisotopic Mass: 124.0524295
SMILES and InChIs

SMILES:
c1ccc(c(c1)OC)O
Canonical SMILES:
COc1ccccc1O
InChI:
InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
InChIKey:
LHGVFZTZFXWLCP-UHFFFAOYSA-N

Cite this record

CBID:173091 http://www.chembase.cn/molecule-173091.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2H3)methoxyphenol
IUPAC Traditional name
2-(2H3)methoxyphenol
Synonyms
o-(Methoxy-d3)-phenol
1-Hydroxy-2-(methoxy-d3)-benzene
2-Hydroxyanisole-d3
Anastil-d3
Guaiacol-d3
Guaiastil-d3
Methylcatechol-d3
o-Hydroxyanisole-d3
O-Methoxyphenol-d3
NSC 3815-d3
2-Methoxyphenol-d3
CAS Number
74495-69-5
PubChem SID
164229001
PubChem CID
12213392

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M265302 external link Add to cart
PubChem 12213392 external link
Data Source Data ID Price
TRC
M265302 external link Add to cart Please log in.
Data Source Data ID
PubChem 12213392 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.977541  H Acceptors
H Donor LogD (pH = 5.5) 1.5119948 
LogD (pH = 7.4) 1.5108694  Log P 1.5120093 
Molar Refractivity 34.5021 cm3 Polarizability 13.450347 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
Yellow to Orange Oil expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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