Home > Compound List > Compound details
164266224 molecular structure
click picture or here to close

(2Z)-2-[(2-methyl-2H-chromen-3-yl)methylidene]-6-[(4-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-one

ChemBase ID: 210314
Molecular Formular: C27H22O4
Molecular Mass: 410.46118
Monoisotopic Mass: 410.15180918
SMILES and InChIs

SMILES:
C\1(=C\C2=Cc3c(OC2C)cccc3)/C(=O)c2c(O1)cc(OCc1ccc(cc1)C)cc2
Canonical SMILES:
Cc1ccc(cc1)COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1C)/C2=O
InChI:
InChI=1S/C27H22O4/c1-17-7-9-19(10-8-17)16-29-22-11-12-23-25(15-22)31-26(27(23)28)14-21-13-20-5-3-4-6-24(20)30-18(21)2/h3-15,18H,16H2,1-2H3/b26-14-
InChIKey:
DNVBIJFPARYDBE-WGARJPEWSA-N

Cite this record

CBID:210314 http://www.chembase.cn/molecule-210314.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2Z)-2-[(2-methyl-2H-chromen-3-yl)methylidene]-6-[(4-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-one
IUPAC Traditional name
(2Z)-2-[(2-methyl-2H-chromen-3-yl)methylidene]-6-[(4-methylphenyl)methoxy]-1-benzofuran-3-one
PubChem SID
164266224
PubChem CID
6216829

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6216829 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Molar Refractivity 122.1593 cm3 Polarizability 46.22982 Å3
Polar Surface Area 44.76 Å2 Rotatable Bonds
Lipinski's Rule of Five false  H Acceptors
H Donor LogD (pH = 5.5) 5.549784 
LogD (pH = 7.4) 5.549784  Log P 5.549784 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Classification
Derivatives & analogs of Natural Compounds expand Show data source

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