Cas no 88097-05-6 (Phenol, 3-methyl-2-(3-methyl-2-butenyl)-)
88097-05-6 structure
Product Name:Phenol, 3-methyl-2-(3-methyl-2-butenyl)-
CAS No:88097-05-6
MF:C12H16O
MW:176.254843711853
CID:645254
PubChem ID:71410888
Update Time:2025-04-19
Phenol, 3-methyl-2-(3-methyl-2-butenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 3-methyl-2-(3-methyl-2-butenyl)-
- 3-methyl-2-(3-methylbut-2-enyl)phenol
- SCHEMBL24805118
- DTXSID80830544
- 88097-05-6
- 3-Methyl-2-(3-methylbut-2-en-1-yl)phenol
-
- Inchi： 1S/C12H16O/c1-9(2)7-8-11-10(3)5-4-6-12(11)13/h4-7,13H,8H2,1-3H3
- InChI Key： FNTSBOZQCUPFTD-UHFFFAOYSA-N
- SMILES： OC1=CC=CC(C)=C1C/C=C(\C)/C
Computed Properties
- Exact Mass: 176.120115130g/mol
- Monoisotopic Mass: 176.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 180
- 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: 20.2?2
Phenol, 3-methyl-2-(3-methyl-2-butenyl)- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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