Home > Compound List > Compound details
33693-48-0 molecular structure
click picture or here to close

[4-(benzyloxy)-3-methoxyphenyl]methanol

ChemBase ID: 138687
Molecular Formular: C15H16O3
Molecular Mass: 244.28574
Monoisotopic Mass: 244.10994437
SMILES and InChIs

SMILES:
COc1cc(ccc1OCc1ccccc1)CO
Canonical SMILES:
COc1cc(CO)ccc1OCc1ccccc1
InChI:
InChI=1S/C15H16O3/c1-17-15-9-13(10-16)7-8-14(15)18-11-12-5-3-2-4-6-12/h2-9,16H,10-11H2,1H3
InChIKey:
PDBXFVPMVYQICB-UHFFFAOYSA-N

Cite this record

CBID:138687 http://www.chembase.cn/molecule-138687.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[4-(benzyloxy)-3-methoxyphenyl]methanol
IUPAC Traditional name
[4-(benzyloxy)-3-methoxyphenyl]methanol
Synonyms
4-Benzyloxy-3-methoxybenzyl alcohol
(4-Benzyloxy-3-methoxyphenyl)methanol
3-Methoxy-4-(benzyloxy)benzyl Alcohol
4-(Benzyloxy)-3-methoxybenzyl Alcohol
NSC 169518
O-Benzylvanillyl Alcohol
Vanillyl Alcohol Benzyl Ether
4-(Benzyloxy)-3-methoxy-benzyl Alcohol
4-苄氧基-3-甲氧基苯甲醇
CAS Number
33693-48-0
EC Number
251-638-3
MDL Number
MFCD00004640
PubChem SID
24851364
162232938
PubChem CID
98832

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 98832 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.949274  H Acceptors
H Donor LogD (pH = 5.5) 2.6150267 
LogD (pH = 7.4) 2.6150267  Log P 2.6150267 
Molar Refractivity 70.4129 cm3 Polarizability 27.410093 Å3
Polar Surface Area 38.69 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
Methanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
71-73 °C(lit.) expand Show data source
71-73°C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
C6H5CH2OC6H3(OCH3)CH2OH expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle