(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol

C15H12F4O2 — CID 62917904

IUPAC(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
SMILESCc1ccc(F)cc1C(O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H12F4O2/c1-9-5-6-11(16)8-13(9)14(20)10-3-2-4-12(7-10)21-15(17,18)19/h2-8,14,20H,1H3
InChIKeyFCBNFBMQOFDQIK-UHFFFAOYSA-N
MW300.25 g/mol
LogP4.11
Rot. Bonds3

About (5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol

(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol (PubChem CID 62917904) has the molecular formula C15H12F4O2 and a molecular weight of 300.25 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
PubChem CID62917904
Molecular FormulaC15H12F4O2
Molecular Weight300.25 g/mol
Exact Mass300.08
IUPAC Name(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
SMILESCc1ccc(F)cc1C(O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H12F4O2/c1-9-5-6-11(16)8-13(9)14(20)10-3-2-4-12(7-10)21-15(17,18)19/h2-8,14,20H,1H3
InChIKeyFCBNFBMQOFDQIK-UHFFFAOYSA-N
XLogP4.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 63661812
(2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62916192
(4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62917572
(3,6-dimethylpyridazin-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 105096591
(3-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 107104966
(5-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 63894130
(2,5-dichlorothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 107969653
(1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 83090224
(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 63672562
(5-fluoro-2-methylphenyl)-pyridin-3-ylmethanol
CID 62388574
(3-fluoro-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 62789611
(2-methyl-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 106756192

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol (CID 62917904) is (5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol is Cc1ccc(F)cc1C(O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol?
The InChIKey is FCBNFBMQOFDQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4O2/c1-9-5-6-11(16)8-13(9)14(20)10-3-2-4-12(7-10)21-15(17,18)19/h2-8,14,20H,1H3.
What are the key properties of (5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol?
(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol has a molecular weight of 300.25 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 62917904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).