Cas no 85244-23-1 (3,5-Dipropylphenol)
3,5-Dipropylphenol structure
Product Name:3,5-Dipropylphenol
CAS No:85244-23-1
MF:C12H18O
MW:178.270723819733
CID:1835163
PubChem ID:14665583
Update Time:2025-04-21
3,5-Dipropylphenol Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Dipropylphenol
- SCHEMBL3362484
- 85244-23-1
- IZPYZVGXWQFHIV-UHFFFAOYSA-N
- DTXSID80562772
-
- Inchi： 1S/C12H18O/c1-3-5-10-7-11(6-4-2)9-12(13)8-10/h7-9,13H,3-6H2,1-2H3
- InChI Key： IZPYZVGXWQFHIV-UHFFFAOYSA-N
- SMILES： OC1C=C(C=C(C=1)CCC)CCC
Computed Properties
- Exact Mass: 178.135765193g/mol
- Monoisotopic Mass: 178.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 119
- 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: 4.2
- Topological Polar Surface Area: 20.2?2
3,5-Dipropylphenol Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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