Cas no 6327-79-3 (1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione)
6327-79-3 structure
Product Name:1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione
CAS No:6327-79-3
MF:C16H14O3
MW:254.280564785004
CID:1649576
PubChem ID:96069
Update Time:2025-04-21
1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione Chemical and Physical Properties
Names and Identifiers
-
- 1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione
- 1,3-Propanedione, 1-(4-methoxyphenyl)-3-phenyl-
- MLS001178582
- AB00073861-01
- CHEMBL1725917
- SR-01000195520
- 6327-79-3
- NSC50394
- CWWFKNYDPAANEP-UHFFFAOYSA-N
- Cambridge id 5108222
- HMS2805N22
- SMR000475980
- SR-01000195520-1
- 1-(4-Methoxyphenyl)-3-phenyl-1,3-propanedione
- NSC-50394
- NSC 50394
- CBDivE_000652
- DTXSID90212670
- SCHEMBL747850
- 1-phenyl-3-(p-methoxyphenyl)-1,3-propanedione
- p-Methoxydibenzoylmethan
-
- Inchi: 1S/C16H14O3/c1-19-14-9-7-13(8-10-14)16(18)11-15(17)12-5-3-2-4-6-12/h2-10H,11H2,1H3
- InChI Key: CWWFKNYDPAANEP-UHFFFAOYSA-N
- SMILES: O(C)C1C=CC(=CC=1)C(CC(C1C=CC=CC=1)=O)=O
Computed Properties
- Exact Mass: 254.09432
- Monoisotopic Mass: 254.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 310
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 43.4A^2
- XLogP3: 3.1
Experimental Properties
- Density: 1.151
- Boiling Point: 430.6°C at 760 mmHg
- Flash Point: 192.4°C
- Refractive Index: 1.57
- PSA: 43.37
- LogP: 3.15090
1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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