5-[(2-methylphenyl)methoxy]-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol

C25H19F3N2O2 — CID 135651773

IUPAC5-[(2-methylphenyl)methoxy]-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
SMILESCc1ccccc1COc1ccc(-c2ncnc(C(F)(F)F)c2-c2ccccc2)c(O)c1
InChIInChI=1S/C25H19F3N2O2/c1-16-7-5-6-10-18(16)14-32-19-11-12-20(21(31)13-19)23-22(17-8-3-2-4-9-17)24(25(26,27)28)30-15-29-23/h2-13,15,31H,14H2,1H3
InChIKeyRGPNHVAUHNXLQM-UHFFFAOYSA-N
MW436.43 g/mol
LogP6.42
Rot. Bonds5

About 5-[(2-methylphenyl)methoxy]-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol

5-[(2-methylphenyl)methoxy]-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol (PubChem CID 135651773) has the molecular formula C25H19F3N2O2 and a molecular weight of 436.43 g/mol. Its IUPAC name is 5-[(2-methylphenyl)methoxy]-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name5-[(2-methylphenyl)methoxy]-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
PubChem CID135651773
Molecular FormulaC25H19F3N2O2
Molecular Weight436.43 g/mol
Exact Mass436.14
IUPAC Name5-[(2-methylphenyl)methoxy]-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
SMILESCc1ccccc1COc1ccc(-c2ncnc(C(F)(F)F)c2-c2ccccc2)c(O)c1
InChIInChI=1S/C25H19F3N2O2/c1-16-7-5-6-10-18(16)14-32-19-11-12-20(21(31)13-19)23-22(17-8-3-2-4-9-17)24(25(26,27)28)30-15-29-23/h2-13,15,31H,14H2,1H3
InChIKeyRGPNHVAUHNXLQM-UHFFFAOYSA-N
XLogP6.42
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.43
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenyl)methoxy]-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
The IUPAC name of 5-[(2-methylphenyl)methoxy]-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol (CID 135651773) is 5-[(2-methylphenyl)methoxy]-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 5-[(2-methylphenyl)methoxy]-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 5-[(2-methylphenyl)methoxy]-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol is Cc1ccccc1COc1ccc(-c2ncnc(C(F)(F)F)c2-c2ccccc2)c(O)c1.
What is the InChIKey of 5-[(2-methylphenyl)methoxy]-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
The InChIKey is RGPNHVAUHNXLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O2/c1-16-7-5-6-10-18(16)14-32-19-11-12-20(21(31)13-19)23-22(17-8-3-2-4-9-17)24(25(26,27)28)30-15-29-23/h2-13,15,31H,14H2,1H3.
What are the key properties of 5-[(2-methylphenyl)methoxy]-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
5-[(2-methylphenyl)methoxy]-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol has a molecular weight of 436.43 g/mol, XLogP of 6.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenyl)methoxy]-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 135651773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).