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68155-51-1 molecular structure
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3,4-bis(propan-2-yl)phenyl diphenyl phosphate

ChemBase ID: 162330
Molecular Formular: C24H27O4P
Molecular Mass: 410.442541
Monoisotopic Mass: 410.16469597
SMILES and InChIs

SMILES:
O(P(=O)(Oc1ccccc1)Oc1cc(c(cc1)C(C)C)C(C)C)c1ccccc1
Canonical SMILES:
CC(c1cc(ccc1C(C)C)OP(=O)(Oc1ccccc1)Oc1ccccc1)C
InChI:
InChI=1S/C24H27O4P/c1-18(2)23-16-15-22(17-24(23)19(3)4)28-29(25,26-20-11-7-5-8-12-20)27-21-13-9-6-10-14-21/h5-19H,1-4H3
InChIKey:
CGYONFZXYNCFCN-UHFFFAOYSA-N

Cite this record

CBID:162330 http://www.chembase.cn/molecule-162330.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,4-bis(propan-2-yl)phenyl diphenyl phosphate
IUPAC Traditional name
3,4-diisopropylphenyl diphenyl phosphate
Synonyms
Phosphoric acid, 3,4-Bis(1-methylethyl)phenyl Diphenyl Ester
3,4-Diisopropylphenyl Diphenyl Phosphate
3,4-Bis(isopropyl)phenyl Diphenyl Phosphate
CAS Number
68155-51-1
PubChem SID
162256465
PubChem CID
109653

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC B451425 external link Add to cart
PubChem 109653 external link
Data Source Data ID Price
TRC
B451425 external link Add to cart Please log in.
Data Source Data ID
PubChem 109653 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.577672  LogD (pH = 7.4) 7.577672 
Log P 7.577672  Molar Refractivity 115.8132 cm3
Polarizability 45.6888 Å3 Polar Surface Area 44.76 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - B451425 external link
3,4-Bis(isopropyl)phenyl Diphenyl Phosphate is an isopropylphenyl phosphate used as a chromatographic standard.

REFERENCES

REFERENCES

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  • • Hlavaty, J. et al.: Sbor. Vys. Skoly Chem.-Technol. Praze D Tech. Paliv, D54, 41 (1986)
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PATENTS

PATENTS

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INTERNET

INTERNET

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