Home > Compound List > Compound details
1241916-83-5 molecular structure
click picture or here to close

3,5-dimethyl-9-(prop-2-en-1-yloxy)-7H-furo[3,2-g]chromen-7-one

ChemBase ID: 159701
Molecular Formular: C16H14O4
Molecular Mass: 270.27996
Monoisotopic Mass: 270.08920893
SMILES and InChIs

SMILES:
c12c(cc3c(c1OCC=C)occ3C)c(cc(=O)o2)C
Canonical SMILES:
C=CCOc1c2occ(c2cc2c1oc(=O)cc2C)C
InChI:
InChI=1S/C16H14O4/c1-4-5-18-16-14-12(10(3)8-19-14)7-11-9(2)6-13(17)20-15(11)16/h4,6-8H,1,5H2,2-3H3
InChIKey:
YPHYAHLXEZAINX-UHFFFAOYSA-N

Cite this record

CBID:159701 http://www.chembase.cn/molecule-159701.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,5-dimethyl-9-(prop-2-en-1-yloxy)-7H-furo[3,2-g]chromen-7-one
IUPAC Traditional name
3,5-dimethyl-9-(prop-2-en-1-yloxy)furo[3,2-g]chromen-7-one
Synonyms
3,5-Dimethyl-9-(2-propen-1-yloxy)-7H-furo[3,2-g][1]benzopyran-7-one
8-Allyloxy-4,9-dimethyl Psoralen
CAS Number
1241916-83-5
PubChem SID
162253836
PubChem CID
71313102

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A561700 external link Add to cart
PubChem 71313102 external link
Data Source Data ID Price
TRC
A561700 external link Add to cart Please log in.
Data Source Data ID
PubChem 71313102 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.3288774  LogD (pH = 7.4) 3.3288774 
Log P 3.3288774  Molar Refractivity 75.3388 cm3
Polarizability 29.642284 Å3 Polar Surface Area 48.67 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A561700 external link
8-Allyloxy-4,9-dimethyl Psoralen is an intermediate in the preparation of Imperatorin (I495000) derivatives.

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