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75792-35-7 molecular structure
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3-methoxy-2-(propan-2-yloxy)benzaldehyde

ChemBase ID: 233985
Molecular Formular: C11H14O3
Molecular Mass: 194.22706
Monoisotopic Mass: 194.09429431
SMILES and InChIs

SMILES:
c1(c(C=O)cccc1OC)OC(C)C
Canonical SMILES:
COc1cccc(c1OC(C)C)C=O
InChI:
InChI=1S/C11H14O3/c1-8(2)14-11-9(7-12)5-4-6-10(11)13-3/h4-8H,1-3H3
InChIKey:
JRUKQVINIBATNZ-UHFFFAOYSA-N

Cite this record

CBID:233985 http://www.chembase.cn/molecule-233985.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methoxy-2-(propan-2-yloxy)benzaldehyde
IUPAC Traditional name
2-isopropoxy-3-methoxybenzaldehyde
Synonyms
2-isopropoxy-3-methoxybenzaldehyde
CAS Number
75792-35-7
MDL Number
MFCD02629693
PubChem SID
164289895
PubChem CID
3467841

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-08911 external link Add to cart Please log in.
Data Source Data ID
PubChem 3467841 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1437886  LogD (pH = 7.4) 2.1437886 
Log P 2.1437886  Molar Refractivity 54.7358 cm3
Polarizability 20.944561 Å3 Polar Surface Area 35.53 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.288 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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