Cas no 62314-94-7 (Phenol, 2-(1-naphthalenylmethyl)-, benzoate)
62314-94-7 structure
Product Name:Phenol, 2-(1-naphthalenylmethyl)-, benzoate
CAS No:62314-94-7
MF:C24H20O3
MW:356.413806915283
CID:449624
PubChem ID:71387614
Update Time:2025-04-19
Phenol, 2-(1-naphthalenylmethyl)-, benzoate Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-(1-naphthalenylmethyl)-, benzoate
- benzoic acid,2-(naphthalen-1-ylmethyl)phenol
- DTXSID10809728
- Benzoic acid--2-[(naphthalen-1-yl)methyl]phenol (1/1)
- 62314-94-7
-
- Inchi： 1S/C17H14O.C7H6O2/c18-17-11-4-2-7-15(17)12-14-9-5-8-13-6-1-3-10-16(13)14;8-7(9)6-4-2-1-3-5-6/h1-11,18H,12H2;1-5H,(H,8,9)
- InChI Key： GHPVGHHBZKJZDE-UHFFFAOYSA-N
- SMILES： OC1C=CC=CC=1CC1=CC=CC2C=CC=CC1=2.OC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 356.1413
- Monoisotopic Mass: 356.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 27
- Rotatable Bond Count: 3
- Complexity: 366
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
Phenol, 2-(1-naphthalenylmethyl)-, benzoate Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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