Cas no 55136-70-4 (Phenol, 3-methoxy-5-propyl-)
Phenol, 3-methoxy-5-propyl- structure
Product Name:Phenol, 3-methoxy-5-propyl-
CAS No:55136-70-4
MF:C10H14O2
MW:166.216963291168
CID:352735
PubChem ID:15660282
Update Time:2025-04-19
Phenol, 3-methoxy-5-propyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 3-methoxy-5-propyl-
- 3-methoxy-5-propylphenol
- SCHEMBL9773883
- ILWXLUGUJRYVST-UHFFFAOYSA-N
- 3-methoxy-5-propyl-phenol
- DTXSID30576465
- 55136-70-4
- Divarine monomethyl ether
-
- Inchi： 1S/C10H14O2/c1-3-4-8-5-9(11)7-10(6-8)12-2/h5-7,11H,3-4H2,1-2H3
- InChI Key： ILWXLUGUJRYVST-UHFFFAOYSA-N
- SMILES： O(C)C1=CC(=CC(=C1)CCC)O
Computed Properties
- Exact Mass: 166.09942
- Monoisotopic Mass: 166.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 125
- 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: 2.9
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.46
Phenol, 3-methoxy-5-propyl- Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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