Cas no 61440-52-6 (Benzenemethanol, 4-(heptyloxy)-)
61440-52-6 structure
Product Name:Benzenemethanol, 4-(heptyloxy)-
CAS No:61440-52-6
MF:C14H22O2
MW:222.323284626007
CID:479368
PubChem ID:13079697
Update Time:2025-04-19
Benzenemethanol, 4-(heptyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, 4-(heptyloxy)-
- (4-heptoxyphenyl)methanol
- p-Heptyloxybenzyl alcohol
- AKOS005291388
- [4-(HEPTYLOXY)PHENYL]METHANOL
- DTXSID30517555
- SCHEMBL9665213
- 4-heptyloxybenzyl alcohol
- BMLPPYPVKNUKFX-UHFFFAOYSA-N
- 61440-52-6
-
- Inchi： 1S/C14H22O2/c1-2-3-4-5-6-11-16-14-9-7-13(12-15)8-10-14/h7-10,15H,2-6,11-12H2,1H3
- InChI Key： BMLPPYPVKNUKFX-UHFFFAOYSA-N
- SMILES： O(C1C=CC(CO)=CC=1)CCCCCCC
Computed Properties
- Exact Mass: 222.16206
- Monoisotopic Mass: 222.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 8
- Complexity: 151
- 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: 3.9
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.46
Benzenemethanol, 4-(heptyloxy)- Related Literature
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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2. 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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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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