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88938-12-9 molecular structure
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4-[9-(4-hydroxy-3-methylphenyl)-9H-fluoren-9-yl]-2-methylphenol

ChemBase ID: 797202
Molecular Formular: C27H22O2
Molecular Mass: 378.46238
Monoisotopic Mass: 378.16197994
SMILES and InChIs

SMILES:
C1(c2ccccc2c2ccccc12)(c1cc(c(cc1)O)C)c1cc(c(cc1)O)C
Canonical SMILES:
Cc1cc(ccc1O)C1(c2ccc(c(c2)C)O)c2ccccc2c2c1cccc2
InChI:
InChI=1S/C27H22O2/c1-17-15-19(11-13-25(17)28)27(20-12-14-26(29)18(2)16-20)23-9-5-3-7-21(23)22-8-4-6-10-24(22)27/h3-16,28-29H,1-2H3
InChIKey:
NUDSREQIJYWLRA-UHFFFAOYSA-N

Cite this record

CBID:797202 http://www.chembase.cn/molecule-797202.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[9-(4-hydroxy-3-methylphenyl)-9H-fluoren-9-yl]-2-methylphenol
IUPAC Traditional name
4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol
Synonyms
4,4'-(9H-Fluorene-9,9-diyl)bis(2-Methylphenol)
CAS Number
88938-12-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O6256 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.931922  H Acceptors
H Donor LogD (pH = 5.5) 7.0133896 
LogD (pH = 7.4) 7.012138  Log P 7.013406 
Molar Refractivity 118.1313 cm3 Polarizability 46.353825 Å3
Polar Surface Area 40.46 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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