Cas no 61672-52-4 (Isoquinoline, 5-(phenylmethoxy)-)
61672-52-4 structure
Product Name:Isoquinoline, 5-(phenylmethoxy)-
CAS No:61672-52-4
MF:C16H13NO
MW:235.280524015427
CID:470614
PubChem ID:21192493
Update Time:2025-04-19
Isoquinoline, 5-(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline, 5-(phenylmethoxy)-
- 5-phenylmethoxyisoquinoline
- CHEMBL56010
- 5-(benzyloxy)isoquinolin
- 5-benzyloxyisoquinoline
- KADVOJZKYIJXOL-UHFFFAOYSA-N
- 61672-52-4
- 5-(Benzyloxy)isoquinoline
- 5-Benzyloxy-isoquinoline
- DTXSID10611282
- SCHEMBL5445170
-
- Inchi： 1S/C16H13NO/c1-2-5-13(6-3-1)12-18-16-8-4-7-14-11-17-10-9-15(14)16/h1-11H,12H2
- InChI Key： KADVOJZKYIJXOL-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)C1=CC=CC2C=NC=CC1=2
Computed Properties
- Exact Mass: 235.09979
- Monoisotopic Mass: 235.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 250
- 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: 3.6
- Topological Polar Surface Area: 22.1?2
Experimental Properties
- PSA: 22.12
Isoquinoline, 5-(phenylmethoxy)- Related Literature
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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