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34826-64-7 molecular structure
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2,4-bis[(4-hydroxyphenyl)methyl]phenol

ChemBase ID: 125220
Molecular Formular: C20H18O3
Molecular Mass: 306.35512
Monoisotopic Mass: 306.12559444
SMILES and InChIs

SMILES:
c1cc(O)ccc1Cc1cc(ccc1O)Cc1ccc(O)cc1
Canonical SMILES:
Oc1ccc(cc1)Cc1ccc(c(c1)Cc1ccc(cc1)O)O
InChI:
InChI=1S/C20H18O3/c21-18-6-1-14(2-7-18)11-16-5-10-20(23)17(13-16)12-15-3-8-19(22)9-4-15/h1-10,13,21-23H,11-12H2
InChIKey:
YQOVRUAPWCGSLC-UHFFFAOYSA-N

Cite this record

CBID:125220 http://www.chembase.cn/molecule-125220.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-bis[(4-hydroxyphenyl)methyl]phenol
IUPAC Traditional name
2,4-bis[(4-hydroxyphenyl)methyl]phenol
Synonyms
2,4-Bis(4-hydroxybenzyl) phenol
CAS Number
34826-64-7
PubChem SID
162219570
PubChem CID
193195
Wikipedia Title
2,4-Bis(4-hydroxybenzyl)_phenol

DATA SOURCES

DATA SOURCES

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

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.674843  H Acceptors
H Donor LogD (pH = 5.5) 5.246109 
LogD (pH = 7.4) 5.2438464  Log P 5.246138 
Molar Refractivity 91.4751 cm3 Polarizability 34.865555 Å3
Polar Surface Area 60.69 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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