Cas no 32884-25-6 ([2-(benzyloxy)-4-methoxyphenyl]acetonitrile)
32884-25-6 structure
Product Name:[2-(benzyloxy)-4-methoxyphenyl]acetonitrile
CAS No:32884-25-6
MF:C16H15NO2
MW:253.295804262161
CID:917358
PubChem ID:319408
Update Time:2025-04-19
[2-(benzyloxy)-4-methoxyphenyl]acetonitrile Chemical and Physical Properties
Names and Identifiers
-
- [2-(benzyloxy)-4-methoxyphenyl]acetonitrile
- 2-(4-methoxy-2-phenylmethoxyphenyl)acetonitrile
- (2-(Benzyloxy)-4-methoxyphenyl)acetonitrile
- (2-benzyloxy-4-methoxyphenyl)acetonitrile
- AC1L805X
- NCI60_002107
- NSC263601
- SureCN6035647
- Acetonitrile, [2-(benzyloxy)-4-methoxyphenyl]-
- QME7346U59
- 32884-25-6
- 2-Benzyloxy-4-methoxyphenylacetonitrile
- 4-Methoxy-2-(phenylmethoxy)benzeneacetonitrile
- DTXSID20186537
- GHQVMARKZDBYKZ-UHFFFAOYSA-N
- SCHEMBL6035647
- CHEMBL1976329
- 2-(2-benzyloxy-4-methoxy-phenyl)acetonitrile
- Benzeneacetonitrile, 4-methoxy-2-(phenylmethoxy)-
- NSC-263601
- NSC 263601
-
- Inchi: 1S/C16H15NO2/c1-18-15-8-7-14(9-10-17)16(11-15)19-12-13-5-3-2-4-6-13/h2-8,11H,9,12H2,1H3
- InChI Key: GHQVMARKZDBYKZ-UHFFFAOYSA-N
- SMILES: O(CC1C=CC=CC=1)C1C=C(C=CC=1CC#N)OC
Computed Properties
- Exact Mass: 253.11035
- Monoisotopic Mass: 253.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 303
- 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: 3
- Topological Polar Surface Area: 42.2?2
Experimental Properties
- PSA: 42.25
- LogP: 3.34028
[2-(benzyloxy)-4-methoxyphenyl]acetonitrile Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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