Cas no 919784-34-2 (Benzoic acid, 3-[(1S)-1-methylpropoxy]-5-(phenylmethoxy)-)
![Benzoic acid, 3-[(1S)-1-methylpropoxy]-5-(phenylmethoxy)- structure](https://ossimg.kuujia.com/scimg/920000/919784-34-2x500.png)
919784-34-2 structure
Product Name:Benzoic acid, 3-[(1S)-1-methylpropoxy]-5-(phenylmethoxy)-
CAS No:919784-34-2
MF:C18H20O4
MW:300.349005699158
CID:761246
PubChem ID:59127186
Update Time:2025-04-19
Benzoic acid, 3-[(1S)-1-methylpropoxy]-5-(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-[(1S)-1-methylpropoxy]-5-(phenylmethoxy)-
- 3-[(2S)-butan-2-yl]oxy-5-phenylmethoxybenzoic acid
- DTXSID10731030
- 919784-34-2
- DPIYQLBJOUYLLI-ZDUSSCGKSA-N
- 3-{[(1S)-1-methylpropyl]oxy}-5-[(phenylmethyl)oxy]benzoic acid
- 3-(Benzyloxy)-5-{[(2S)-butan-2-yl]oxy}benzoic acid
- SCHEMBL1426871
-
- Inchi： 1S/C18H20O4/c1-3-13(2)22-17-10-15(18(19)20)9-16(11-17)21-12-14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3,(H,19,20)/t13-/m0/s1
- InChI Key： DPIYQLBJOUYLLI-ZDUSSCGKSA-N
- SMILES： O(C1C=C(C(=O)O)C=C(C=1)OCC1C=CC=CC=1)[C@@H](C)CC
Computed Properties
- Exact Mass: 300.13615911g/mol
- Monoisotopic Mass: 300.13615911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 7
- Complexity: 338
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.2
- Topological Polar Surface Area: 55.8?2
Benzoic acid, 3-[(1S)-1-methylpropoxy]-5-(phenylmethoxy)- Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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