Cas no 88640-68-0 (Phenol, 3-hexyl-5-methoxy-)
Phenol, 3-hexyl-5-methoxy- structure
Product Name:Phenol, 3-hexyl-5-methoxy-
CAS No:88640-68-0
MF:C13H20O2
MW:208.296704292297
CID:625852
PubChem ID:71319233
Update Time:2025-04-19
Phenol, 3-hexyl-5-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 3-hexyl-5-methoxy-
- 3-hexyl-5-methoxyphenol
- 3-methoxy-5-hexylphenol
- CHEBI:203381
- DTXSID60749266
- 88640-68-0
- SCHEMBL17509777
-
- Inchi： 1S/C13H20O2/c1-3-4-5-6-7-11-8-12(14)10-13(9-11)15-2/h8-10,14H,3-7H2,1-2H3
- InChI Key： AQGNMKRJQKGKIK-UHFFFAOYSA-N
- SMILES： O(C)C1=CC(=CC(=C1)CCCCCC)O
Computed Properties
- Exact Mass: 208.146329876g/mol
- Monoisotopic Mass: 208.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 159
- 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: 4.5
- Topological Polar Surface Area: 29.5?2
Phenol, 3-hexyl-5-methoxy- Related Literature
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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