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

C15H13F3O2 — CID 62916192

IUPAC(2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
SMILESCc1ccccc1C(O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H13F3O2/c1-10-5-2-3-8-13(10)14(19)11-6-4-7-12(9-11)20-15(16,17)18/h2-9,14,19H,1H3
InChIKeyKDIZOKXTAMJUMA-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.98
Rot. Bonds3

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

(2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol (PubChem CID 62916192) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is (2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
PubChem CID62916192
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name(2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
SMILESCc1ccccc1C(O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H13F3O2/c1-10-5-2-3-8-13(10)14(19)11-6-4-7-12(9-11)20-15(16,17)18/h2-9,14,19H,1H3
InChIKeyKDIZOKXTAMJUMA-UHFFFAOYSA-N
XLogP3.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62917904
(3,6-dimethylpyridazin-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 105096591
(3-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 107104966
(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]methanol
CID 63661812
(2-methyl-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 106756192
(3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 115796305
(4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62917572
(5-methyl-3-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 105096587
(5-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 63894130
(3-methoxy-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 105066282

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol (CID 62916192) is (2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol is Cc1ccccc1C(O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol?
The InChIKey is KDIZOKXTAMJUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O2/c1-10-5-2-3-8-13(10)14(19)11-6-4-7-12(9-11)20-15(16,17)18/h2-9,14,19H,1H3.
What are the key properties of (2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol?
(2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol has a molecular weight of 282.26 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 62916192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).