Cas no 104330-37-2 (Benzoic acid, 4-methoxy-, 3-phenylpropyl ester)
104330-37-2 structure
Product Name:Benzoic acid, 4-methoxy-, 3-phenylpropyl ester
CAS No:104330-37-2
MF:C17H18O3
MW:270.323025226593
CID:1142521
PubChem ID:576484
Update Time:2025-04-20
Benzoic acid, 4-methoxy-, 3-phenylpropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-methoxy-, 3-phenylpropyl ester
- 3-phenylpropyl 4-methoxybenzoate
- 104330-37-2
- HBQRHMFRXPILOE-UHFFFAOYSA-N
- 4-Methoxybenzoic acid, 3-phenylpropyl ester
- 3-Phenylpropyl 4-methoxybenzoate #
- DTXSID60341885
-
- Inchi： 1S/C17H18O3/c1-19-16-11-9-15(10-12-16)17(18)20-13-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13H2,1H3
- InChI Key： HBQRHMFRXPILOE-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=CC=1)OC)=O)CCCC1C=CC=CC=1
Computed Properties
- Exact Mass: 270.12564
- Monoisotopic Mass: 270.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 7
- Complexity: 276
- 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
- XLogP3: 4.1
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
- LogP: 3.48480
Benzoic acid, 4-methoxy-, 3-phenylpropyl ester Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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