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885-77-8 molecular structure
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bis(4-methylphenyl)methanol

ChemBase ID: 52107
Molecular Formular: C15H16O
Molecular Mass: 212.28694
Monoisotopic Mass: 212.12011513
SMILES and InChIs

SMILES:
C(c1ccc(cc1)C)(c1ccc(cc1)C)O
Canonical SMILES:
OC(c1ccc(cc1)C)c1ccc(cc1)C
InChI:
InChI=1S/C15H16O/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3
InChIKey:
RGYZQSCFKFDECZ-UHFFFAOYSA-N

Cite this record

CBID:52107 http://www.chembase.cn/molecule-52107.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(4-methylphenyl)methanol
IUPAC Traditional name
bis(4-methylphenyl)methanol
Synonyms
4,4'-Dimethylbenzhydrol
Bis(p-tolyl) carbinol
4,4'-Dimethyldiphenylmethanol
4,4'-Dimethylbenzhydrol
4,4'-二甲基二苯基甲醇
CAS Number
885-77-8
MDL Number
MFCD00017216
Beilstein Number
1874128
PubChem SID
162056870
PubChem CID
279356

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 279356 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.808389  H Acceptors
H Donor LogD (pH = 5.5) 4.016979 
LogD (pH = 7.4) 4.0169787  Log P 4.016979 
Molar Refractivity 67.2391 cm3 Polarizability 25.95596 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
69-71°C expand Show data source
69-73°C expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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