Home > Compound List > Compound details
480-47-7 molecular structure
click picture or here to close

8-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-1H-2-benzopyran-1-one

ChemBase ID: 127735
Molecular Formular: C15H12O4
Molecular Mass: 256.25338
Monoisotopic Mass: 256.07355886
SMILES and InChIs

SMILES:
C1C(OC(=O)c2c1cccc2O)c1ccc(cc1)O
Canonical SMILES:
Oc1ccc(cc1)C1OC(=O)c2c(C1)cccc2O
InChI:
InChI=1S/C15H12O4/c16-11-6-4-9(5-7-11)13-8-10-2-1-3-12(17)14(10)15(18)19-13/h1-7,13,16-17H,8H2
InChIKey:
DGKDFNDHPXVXHW-UHFFFAOYSA-N

Cite this record

CBID:127735 http://www.chembase.cn/molecule-127735.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-1H-2-benzopyran-1-one
IUPAC Traditional name
hydrangenol
Synonyms
Hydrangenol
Hydrangenol
CAS Number
480-47-7
PubChem SID
162222053
PubChem CID
119199
Chemspider ID
106486
Wikipedia Title
Hydrangenol

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
BioBioPha
BBP01679 Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.249597  H Acceptors
H Donor LogD (pH = 5.5) 3.643644 
LogD (pH = 7.4) 3.6376436  Log P 3.6437209 
Molar Refractivity 69.6375 cm3 Polarizability 26.663967 Å3
Polar Surface Area 66.76 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
Powder expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

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