4'-(Trifluoromethyl)biphenyl-3-methanol - CAS 126485-55-0
Catalog: |
BB006593 |
Product Name: |
4'-(Trifluoromethyl)biphenyl-3-methanol |
CAS: |
126485-55-0 |
Synonyms: |
[3-[4-(trifluoromethyl)phenyl]phenyl]methanol; [3-[4-(trifluoromethyl)phenyl]phenyl]methanol |
IUPAC Name: | [3-[4-(trifluoromethyl)phenyl]phenyl]methanol |
Description: | 4'-(Trifluoromethyl)biphenyl-3-methanol (CAS# 126485-55-0 ) is a useful research chemical. |
Molecular Weight: | 252.23 |
Molecular Formula: | C14H11F3O |
Canonical SMILES: | C1=CC(=CC(=C1)CO)C2=CC=C(C=C2)C(F)(F)F |
InChI: | InChI=1S/C14H11F3O/c15-14(16,17)13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-18/h1-8,18H,9H2 |
InChI Key: | BKESULFFLXBNLC-UHFFFAOYSA-N |
Boiling Point: | 327.703 ℃ at 760 mmHg |
Density: | 1.248 g/cm3 |
LogP: | 3.86470 |
Publication Number | Title | Priority Date |
WO-2019134984-A1 | 3-phenyl-4-hexynoic acid derivatives as gpr40 agonists | 20180108 |
AU-2019205093-A1 | 3-phenyl-4-hexynoic acid derivatives as GPR40 agonists | 20180108 |
BR-112020013694-A2 | 3-phenyl-4-hexinoic acid derivatives as gpr40 agonists | 20180108 |
CN-111757770-A | 3-phenyl-4-hexynoic acid derivatives as GPR40 agonists | 20180108 |
EP-3737470-A1 | 3-phenyl-4-hexynoic acid derivatives as gpr40 agonists | 20180108 |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.07619946 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.07619946 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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