Cas no 34591-34-9 (phenol, p-propyl-,)
phenol, p-propyl-, structure
Product Name:phenol, p-propyl-,
CAS No:34591-34-9
MF:C18H22O
MW:254.366685390472
CID:919369
PubChem ID:56840989
Update Time:2025-04-19
phenol, p-propyl-, Chemical and Physical Properties
Names and Identifiers
-
- phenol, p-propyl-,
- 4-Propylphenol
- Dihydro-2-cinnamyl-4-propylphenol
- 34591-34-9
-
- Inchi： 1S/C18H22O/c1-2-7-16-12-13-18(19)17(14-16)11-6-10-15-8-4-3-5-9-15/h3-5,8-9,12-14,19H,2,6-7,10-11H2,1H3
- InChI Key： QBGZEOQOVNMSAM-UHFFFAOYSA-N
- SMILES： OC1C=CC(CCC)=CC=1CCCC1C=CC=CC=1
Computed Properties
- Exact Mass: 136.08886
- Monoisotopic Mass: 254.167065321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 232
- 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: 5.7
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
phenol, p-propyl-, Related Literature
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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