Cas no 100963-92-6 (Phenol, 4-(methoxymethyl)-2,6-bis(1-methylethyl)-)
100963-92-6 structure
Product Name:Phenol, 4-(methoxymethyl)-2,6-bis(1-methylethyl)-
CAS No:100963-92-6
MF:C14H22O2
MW:222.323284626007
CID:1130636
PubChem ID:13684851
Update Time:2025-04-20
Phenol, 4-(methoxymethyl)-2,6-bis(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 4-(methoxymethyl)-2,6-bis(1-methylethyl)-
- 4-(methoxymethyl)-2,6-di(propan-2-yl)phenol
- 100963-92-6
- DTXSID70546687
- SCHEMBL9196354
-
- Inchi： 1S/C14H22O2/c1-9(2)12-6-11(8-16-5)7-13(10(3)4)14(12)15/h6-7,9-10,15H,8H2,1-5H3
- InChI Key： MFCLYZSYMMDQRI-UHFFFAOYSA-N
- SMILES： OC1C(=CC(COC)=CC=1C(C)C)C(C)C
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: 4
- Complexity: 183
- 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: 3.5
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.46
Phenol, 4-(methoxymethyl)-2,6-bis(1-methylethyl)- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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