Cas no 915385-13-6 (Benzoic acid, 4-[[2-(4-methylphenoxy)hexyl]oxy]-, ethyl ester)
![Benzoic acid, 4-[[2-(4-methylphenoxy)hexyl]oxy]-, ethyl ester structure](https://ossimg.kuujia.com/scimg/915500/915385-13-6x500.png)
915385-13-6 structure
Product Name:Benzoic acid, 4-[[2-(4-methylphenoxy)hexyl]oxy]-, ethyl ester
CAS No:915385-13-6
MF:C22H28O4
MW:356.455327033997
CID:748631
PubChem ID:71422970
Update Time:2025-04-19
Benzoic acid, 4-[[2-(4-methylphenoxy)hexyl]oxy]-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-[[2-(4-methylphenoxy)hexyl]oxy]-, ethyl ester
- ethyl 4-[2-(4-methylphenoxy)hexoxy]benzoate
- 915385-13-6
- CHEMBL2269894
- Ethyl 4-{[2-(4-methylphenoxy)hexyl]oxy}benzoate
- DTXSID50841940
-
- Inchi： 1S/C22H28O4/c1-4-6-7-21(26-20-12-8-17(3)9-13-20)16-25-19-14-10-18(11-15-19)22(23)24-5-2/h8-15,21H,4-7,16H2,1-3H3
- InChI Key： FOWOENOZRFMQMY-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C)=CC=1)C(COC1C=CC(C(=O)OCC)=CC=1)CCCC
Computed Properties
- Exact Mass: 356.19875937g/mol
- Monoisotopic Mass: 356.19875937g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 11
- Complexity: 382
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6
- Topological Polar Surface Area: 44.8?2
Benzoic acid, 4-[[2-(4-methylphenoxy)hexyl]oxy]-, ethyl ester Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
915385-13-6 (Benzoic acid, 4-[[2-(4-methylphenoxy)hexyl]oxy]-, ethyl ester) Related Products
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