[4-methoxy-3-phenyl-2-(trifluoromethyl)phenyl]methanol

C15H13F3O2 — CID 91500100

IUPAC[4-methoxy-3-phenyl-2-(trifluoromethyl)phenyl]methanol
SMILESCOc1ccc(CO)c(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C15H13F3O2/c1-20-12-8-7-11(9-19)14(15(16,17)18)13(12)10-5-3-2-4-6-10/h2-8,19H,9H2,1H3
InChIKeyXBHHRRDOQGUHPH-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.87
Rot. Bonds3

About [4-methoxy-3-phenyl-2-(trifluoromethyl)phenyl]methanol

[4-methoxy-3-phenyl-2-(trifluoromethyl)phenyl]methanol (PubChem CID 91500100) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is [4-methoxy-3-phenyl-2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-methoxy-3-phenyl-2-(trifluoromethyl)phenyl]methanol
PubChem CID91500100
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name[4-methoxy-3-phenyl-2-(trifluoromethyl)phenyl]methanol
SMILESCOc1ccc(CO)c(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C15H13F3O2/c1-20-12-8-7-11(9-19)14(15(16,17)18)13(12)10-5-3-2-4-6-10/h2-8,19H,9H2,1H3
InChIKeyXBHHRRDOQGUHPH-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-phenyl-2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-methoxy-3-phenyl-2-(trifluoromethyl)phenyl]methanol (CID 91500100) is [4-methoxy-3-phenyl-2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-methoxy-3-phenyl-2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-methoxy-3-phenyl-2-(trifluoromethyl)phenyl]methanol is COc1ccc(CO)c(C(F)(F)F)c1-c1ccccc1.
What is the InChIKey of [4-methoxy-3-phenyl-2-(trifluoromethyl)phenyl]methanol?
The InChIKey is XBHHRRDOQGUHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O2/c1-20-12-8-7-11(9-19)14(15(16,17)18)13(12)10-5-3-2-4-6-10/h2-8,19H,9H2,1H3.
What are the key properties of [4-methoxy-3-phenyl-2-(trifluoromethyl)phenyl]methanol?
[4-methoxy-3-phenyl-2-(trifluoromethyl)phenyl]methanol has a molecular weight of 282.26 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-phenyl-2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 91500100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).