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32884-23-4 molecular structure
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2-(benzyloxy)-4-methoxybenzaldehyde

ChemBase ID: 45155
Molecular Formular: C15H14O3
Molecular Mass: 242.26986
Monoisotopic Mass: 242.09429431
SMILES and InChIs

SMILES:
c1c(cc(c(c1)C=O)OCc1ccccc1)OC
Canonical SMILES:
COc1ccc(c(c1)OCc1ccccc1)C=O
InChI:
InChI=1S/C15H14O3/c1-17-14-8-7-13(10-16)15(9-14)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKey:
NQOXTICIDSITGA-UHFFFAOYSA-N

Cite this record

CBID:45155 http://www.chembase.cn/molecule-45155.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(benzyloxy)-4-methoxybenzaldehyde
IUPAC Traditional name
2-(benzyloxy)-4-methoxybenzaldehyde
Synonyms
2-(Benzyloxy)-4-methoxybenzenecarbaldehyde
CAS Number
32884-23-4
MDL Number
MFCD02113682
PubChem SID
162049918
PubChem CID
820527

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 820527 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0948787  LogD (pH = 7.4) 3.0948787 
Log P 3.0948787  Molar Refractivity 70.181 cm3
Polarizability 26.847635 Å3 Polar Surface Area 35.53 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
68 - 70 °C expand Show data source
69-71°C expand Show data source
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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