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32066-31-2 molecular structure
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7-methoxy-4-phenyl-2H-chromen-6-ol

ChemBase ID: 126855
Molecular Formular: C16H14O3
Molecular Mass: 254.28056
Monoisotopic Mass: 254.09429431
SMILES and InChIs

SMILES:
COc1c(cc2C(=CCOc2c1)c1ccccc1)O
Canonical SMILES:
COc1cc2OCC=C(c2cc1O)c1ccccc1
InChI:
InChI=1S/C16H14O3/c1-18-16-10-15-13(9-14(16)17)12(7-8-19-15)11-5-3-2-4-6-11/h2-7,9-10,17H,8H2,1H3
InChIKey:
WZIKSEWGSSYQHA-UHFFFAOYSA-N

Cite this record

CBID:126855 http://www.chembase.cn/molecule-126855.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methoxy-4-phenyl-2H-chromen-6-ol
IUPAC Traditional name
dalbergichromene
Synonyms
6-Hydroxy-7-methoxyneoflavene
Dalbergichromene
CAS Number
32066-31-2
PubChem SID
162221182
PubChem CID
5316291
Chemspider ID
4475375
Wikipedia Title
Dalbergichromene

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.21224  H Acceptors
H Donor LogD (pH = 5.5) 3.1486712 
LogD (pH = 7.4) 3.148015  Log P 3.1486795 
Molar Refractivity 83.3912 cm3 Polarizability 28.341095 Å3
Polar Surface Area 38.69 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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