Home > Compound List > Compound details
915920-48-8 molecular structure
click picture or here to close

3-(prop-2-en-1-yl)-4-(propan-2-yloxy)benzaldehyde

ChemBase ID: 312076
Molecular Formular: C13H16O2
Molecular Mass: 204.26494
Monoisotopic Mass: 204.11502975
SMILES and InChIs

SMILES:
c1(c(cc(C=O)cc1)CC=C)OC(C)C
Canonical SMILES:
C=CCc1cc(C=O)ccc1OC(C)C
InChI:
InChI=1S/C13H16O2/c1-4-5-12-8-11(9-14)6-7-13(12)15-10(2)3/h4,6-10H,1,5H2,2-3H3
InChIKey:
NJJRVKDNYKCNQO-UHFFFAOYSA-N

Cite this record

CBID:312076 http://www.chembase.cn/molecule-312076.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(prop-2-en-1-yl)-4-(propan-2-yloxy)benzaldehyde
IUPAC Traditional name
4-isopropoxy-3-(prop-2-en-1-yl)benzaldehyde
Synonyms
3-allyl-4-isopropoxybenzaldehyde
CAS Number
915920-48-8
MDL Number
MFCD08691801

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 7918292 external link Add to cart
Data Source Data ID Price
ChemBridge
7918292 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.4000306  LogD (pH = 7.4) 3.4000306 
Log P 3.4000306  Molar Refractivity 62.5599 cm3
Polarizability 23.709894 Å3 Polar Surface Area 26.3 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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