Cas no 6686-26-6 (Benzenebutanoicacid, 4-(phenylmethoxy)-)
6686-26-6 structure
Product Name:Benzenebutanoicacid, 4-(phenylmethoxy)-
CAS No:6686-26-6
MF:C17H18O3
MW:270.323025226593
CID:528820
PubChem ID:281336
Update Time:2025-04-19
Benzenebutanoicacid, 4-(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenebutanoicacid, 4-(phenylmethoxy)-
- 4-(4-(benzyloxy)phenyl)butanoic acid
- 4-(4-phenylmethoxyphenyl)butanoic acid
- 4-(4-benzyloxyphenyl)butyric acid
- 4-[4-(benzyloxy)phenyl]butanoic acid
- 4-[4-(Benzyloxy)-phenyl]-buttersaeure
- AC1L5UAM
- AC1Q5W1D
- AR-1F9756
- CTK2F8879
- NSC134104
- SureCN7905578
- TQP0066
- FT-0730830
- SCHEMBL7905578
- DTXSID40299991
- AKOS013531344
- 4-(4-benzyloxyphenyl)butanoic acid
- 6686-26-6
- NSC-134104
-
- Inchi： 1S/C17H18O3/c18-17(19)8-4-7-14-9-11-16(12-10-14)20-13-15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8,13H2,(H,18,19)
- InChI Key： RKDXPVYOANKPNA-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)C1C=CC(=CC=1)CCCC(=O)O
Computed Properties
- Exact Mass: 270.12564
- Monoisotopic Mass: 270.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 7
- Complexity: 276
- 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: 3.8
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
- LogP: 3.67290
Benzenebutanoicacid, 4-(phenylmethoxy)- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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