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66067-43-4 molecular structure
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(3-ethylphenyl)(phenyl)methanone

ChemBase ID: 168419
Molecular Formular: C15H14O
Molecular Mass: 210.27106
Monoisotopic Mass: 210.10446507
SMILES and InChIs

SMILES:
c1(cccc(c1)CC)C(=O)c1ccccc1
Canonical SMILES:
CCc1cccc(c1)C(=O)c1ccccc1
InChI:
InChI=1S/C15H14O/c1-2-12-7-6-10-14(11-12)15(16)13-8-4-3-5-9-13/h3-11H,2H2,1H3
InChIKey:
FVSYHKJWZIKKDM-UHFFFAOYSA-N

Cite this record

CBID:168419 http://www.chembase.cn/molecule-168419.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3-ethylphenyl)(phenyl)methanone
IUPAC Traditional name
(3-ethylphenyl)(phenyl)methanone
Synonyms
(3-Ethylphenyl)phenylmethanone
m-Ethylbenzophenone
3-Ethylbenzophenone
CAS Number
66067-43-4
PubChem SID
162262551
PubChem CID
583730

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC E899790 external link Add to cart
PubChem 583730 external link
Data Source Data ID Price
TRC
E899790 external link Add to cart Please log in.
Data Source Data ID
PubChem 583730 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.3905888  LogD (pH = 7.4) 4.3905888 
Log P 4.3905888  Molar Refractivity 66.2757 cm3
Polarizability 25.642664 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

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 - E899790 external link
3-Ethylbenzophenone is the photodegradation product of Ibuprofen (I40000) and Ketoprofen (K200800)in aqueous solutions.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Alapi, T., et al.: J. Photochem. Photobiol., 188, 409 (2007)
  • • Musa, K., et al.: Med. Chem., 50, 1735 (2007)
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PATENTS

PATENTS

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INTERNET

INTERNET

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