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139726-30-0 molecular structure
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2-[2-hydroxy-5-(prop-2-en-1-yl)phenyl]-4-(prop-2-en-1-yl)-6-[4-(prop-2-en-1-yl)phenoxy]phenol

ChemBase ID: 305046
Molecular Formular: C27H26O3
Molecular Mass: 398.49354
Monoisotopic Mass: 398.18819469
SMILES and InChIs

SMILES:
c1cc(cc(c1O)c1c(c(cc(c1)CC=C)Oc1ccc(cc1)CC=C)O)CC=C
Canonical SMILES:
C=CCc1cc(Oc2ccc(cc2)CC=C)c(c(c1)c1cc(CC=C)ccc1O)O
InChI:
InChI=1S/C27H26O3/c1-4-7-19-10-13-22(14-11-19)30-26-18-21(9-6-3)17-24(27(26)29)23-16-20(8-5-2)12-15-25(23)28/h4-6,10-18,28-29H,1-3,7-9H2
InChIKey:
HFHHTRIAKONNBG-UHFFFAOYSA-N

Cite this record

CBID:305046 http://www.chembase.cn/molecule-305046.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[2-hydroxy-5-(prop-2-en-1-yl)phenyl]-4-(prop-2-en-1-yl)-6-[4-(prop-2-en-1-yl)phenoxy]phenol
IUPAC Traditional name
2-[2-hydroxy-5-(prop-2-en-1-yl)phenyl]-4-(prop-2-en-1-yl)-6-[4-(prop-2-en-1-yl)phenoxy]phenol
Synonyms
Isodunnianol
CAS Number
139726-30-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP01425
Data Source Data ID Price
BioBioPha
BBP01425 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polar Surface Area 49.69 Å2 Rotatable Bonds
Lipinski's Rule of Five false  Acid pKa 7.945452 
H Acceptors H Donor
LogD (pH = 5.5) 7.8077965  LogD (pH = 7.4) 7.7000456 
Log P 7.80934  Molar Refractivity 124.2587 cm3
Polarizability 48.78633 Å3

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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