Cas no 1261987-41-0 (3-methyl-5-[3-(trifluoromethyl)phenyl]phenol)
3-Methyl-5-[3-(trifluoromethyl)phenyl]phenol is a fluorinated phenolic compound characterized by its trifluoromethyl-substituted aromatic structure. This compound exhibits notable chemical stability and lipophilicity due to the presence of the trifluoromethyl group, enhancing its utility in synthetic organic chemistry and pharmaceutical intermediates. The phenol moiety provides reactivity for further functionalization, making it a versatile building block in the synthesis of complex molecules. Its structural features contribute to improved metabolic stability and bioavailability in drug development applications. The compound is particularly valuable in medicinal chemistry for designing bioactive molecules, where the trifluoromethyl group can influence binding affinity and pharmacokinetic properties. Suitable for controlled reactions under standard laboratory conditions.
1261987-41-0 structure
Product Name:3-methyl-5-[3-(trifluoromethyl)phenyl]phenol
CAS No:1261987-41-0
MF:C14H11F3O
MW:252.231754541397
MDL:MFCD18313378
CID:1219723
PubChem ID:53219070
Update Time:2025-10-28
3-methyl-5-[3-(trifluoromethyl)phenyl]phenol Chemical and Physical Properties
Names and Identifiers
-
- 3-methyl-5-[3-(trifluoromethyl)phenyl]phenol
- RZBFQVNVQRUSRE-UHFFFAOYSA-N
- MFCD18313378
- 3-METHYL-5-(3-TRIFLUOROMETHYLPHENYL)PHENOL
- SCHEMBL16562958
- 5-Methyl-3'-(trifluoromethyl)[1,1'-biphenyl]-3-ol
- DTXSID30683946
- 3-Methyl-5-(3-trifluoromethylphenyl)phenol, 95%
- 1261987-41-0
-
- MDL: MFCD18313378
- Inchi: 1S/C14H11F3O/c1-9-5-11(8-13(18)6-9)10-3-2-4-12(7-10)14(15,16)17/h2-8,18H,1H3
- InChI Key: RZBFQVNVQRUSRE-UHFFFAOYSA-N
- SMILES: FC(C1=CC=CC(=C1)C1C=C(C=C(C)C=1)O)(F)F
Computed Properties
- Exact Mass: 252.07619946g/mol
- Monoisotopic Mass: 252.07619946g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 277
- 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: 4.4
- Topological Polar Surface Area: 20.2?2
3-methyl-5-[3-(trifluoromethyl)phenyl]phenol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB319390-5 g |
3-Methyl-5-(3-trifluoromethylphenyl)phenol, 95%; . |
1261987-41-0 | 95% | 5g |
€1,159.00 | 2022-08-31 | |
| abcr | AB319390-5g |
3-Methyl-5-(3-trifluoromethylphenyl)phenol, 95%; . |
1261987-41-0 | 95% | 5g |
€1159.00 | 2024-04-20 |
3-methyl-5-[3-(trifluoromethyl)phenyl]phenol Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
1261987-41-0 (3-methyl-5-[3-(trifluoromethyl)phenyl]phenol) Related Products
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- 365426-93-3(3-(4-Trifluoromethylphenyl)phenol)
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