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153200-64-7 molecular structure
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2-(cyclopropylmethoxy)-4-methoxybenzaldehyde

ChemBase ID: 180306
Molecular Formular: C12H14O3
Molecular Mass: 206.23776
Monoisotopic Mass: 206.09429431
SMILES and InChIs

SMILES:
C(=O)c1c(cc(cc1)OC)OCC1CC1
Canonical SMILES:
COc1ccc(c(c1)OCC1CC1)C=O
InChI:
InChI=1S/C12H14O3/c1-14-11-5-4-10(7-13)12(6-11)15-8-9-2-3-9/h4-7,9H,2-3,8H2,1H3
InChIKey:
LLCHCHOIQQREPI-UHFFFAOYSA-N

Cite this record

CBID:180306 http://www.chembase.cn/molecule-180306.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(cyclopropylmethoxy)-4-methoxybenzaldehyde
IUPAC Traditional name
2-(cyclopropylmethoxy)-4-methoxybenzaldehyde
Synonyms
3-Cyclopropylmethoxy-4-methoxybenzaldehyde
CAS Number
153200-64-7
PubChem SID
164236216
PubChem CID
61268494

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Chemik
CHB18507 external link Add to cart Please log in.
Data Source Data ID
PubChem 61268494 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1509829  LogD (pH = 7.4) 2.1509829 
Log P 2.1509829  Molar Refractivity 57.5104 cm3
Polarizability 22.057137 Å3 Polar Surface Area 35.53 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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