Cas no 23167-99-9 (Phenol, 2,4-dipropyl-)
Phenol, 2,4-dipropyl- structure
Product Name:Phenol, 2,4-dipropyl-
CAS No:23167-99-9
MF:C12H18O
MW:178.270723819733
CID:251792
PubChem ID:12600530
Update Time:2025-04-19
Phenol, 2,4-dipropyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-dipropylPhenol
- Phenol, 2,4-dipropyl-
- DTXSID40503984
- SCHEMBL1021086
- 23167-99-9
- FT-0733050
-
- Inchi： 1S/C12H18O/c1-3-5-10-7-8-12(13)11(9-10)6-4-2/h7-9,13H,3-6H2,1-2H3
- InChI Key： BRBBSBYGIPRNSU-UHFFFAOYSA-N
- SMILES： OC1=CC=C(C=C1CCC)CCC
Computed Properties
- Exact Mass: 178.13584
- 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: 133
- 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
Experimental Properties
- Density: 0.9249 (rough estimate)
- Boiling Point: 270.52°C (rough estimate)
- Refractive Index: 1.5091 (estimate)
- PSA: 20.23
Phenol, 2,4-dipropyl- Related Literature
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1. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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