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73731-87-0 molecular structure
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2-[3-(4-hydroxyphenyl)propyl]-5-methoxyphenol

ChemBase ID: 305707
Molecular Formular: C16H18O3
Molecular Mass: 258.31232
Monoisotopic Mass: 258.12559444
SMILES and InChIs

SMILES:
c1(ccc(c(c1)O)CCCc1ccc(cc1)O)OC
Canonical SMILES:
COc1ccc(c(c1)O)CCCc1ccc(cc1)O
InChI:
InChI=1S/C16H18O3/c1-19-15-10-7-13(16(18)11-15)4-2-3-12-5-8-14(17)9-6-12/h5-11,17-18H,2-4H2,1H3
InChIKey:
MSNVBURPCQDLEP-UHFFFAOYSA-N

Cite this record

CBID:305707 http://www.chembase.cn/molecule-305707.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[3-(4-hydroxyphenyl)propyl]-5-methoxyphenol
IUPAC Traditional name
2-[3-(4-hydroxyphenyl)propyl]-5-methoxyphenol
Synonyms
Broussonin A
CAS Number
73731-87-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP02289
Data Source Data ID Price
BioBioPha
BBP02289 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.617754  H Acceptors
H Donor LogD (pH = 5.5) 4.1893425 
LogD (pH = 7.4) 4.186765  Log P 4.1893754 
Molar Refractivity 75.4222 cm3 Polarizability 29.018717 Å3
Polar Surface Area 49.69 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

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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INTERNET

INTERNET

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