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847-83-6 molecular structure
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(4-methoxyphenyl)diphenylmethanol

ChemBase ID: 295512
Molecular Formular: C20H18O2
Molecular Mass: 290.35572
Monoisotopic Mass: 290.13067982
SMILES and InChIs

SMILES:
COc1ccc(cc1)C(c1ccccc1)(c1ccccc1)O
Canonical SMILES:
COc1ccc(cc1)C(c1ccccc1)(c1ccccc1)O
InChI:
InChI=1S/C20H18O2/c1-22-19-14-12-18(13-15-19)20(21,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,21H,1H3
InChIKey:
WCRRRAKYYPJJMP-UHFFFAOYSA-N

Cite this record

CBID:295512 http://www.chembase.cn/molecule-295512.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-methoxyphenyl)diphenylmethanol
IUPAC Traditional name
(4-methoxyphenyl)diphenylmethanol
Synonyms
p-Anisyl diphenyl carbinol
4-Methoxytriphenylmethanol
4-Methoxytrityl alcohol
4-甲氧基三苯代甲基醇
CAS Number
847-83-6
EC Number
212-693-9
MDL Number
MFCD00087962
PubChem SID
180681043
PubChem CID
70061

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Alfa Aesar
A18620 external link Add to cart Please log in.
Data Source Data ID
PubChem 70061 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.744895  H Acceptors
H Donor LogD (pH = 5.5) 4.4807067 
LogD (pH = 7.4) 4.480705  Log P 4.4807067 
Molar Refractivity 89.7747 cm3 Polarizability 34.527756 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
TSCA Listed
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Purity
94% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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