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

C18H13F3N2O2 — CID 135656363

IUPAC5-methoxy-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
SMILESCOc1ccc(-c2ncnc(C(F)(F)F)c2-c2ccccc2)c(O)c1
InChIInChI=1S/C18H13F3N2O2/c1-25-12-7-8-13(14(24)9-12)16-15(11-5-3-2-4-6-11)17(18(19,20)21)23-10-22-16/h2-10,24H,1H3
InChIKeyGJGPXFKFNFQCCC-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.54
Rot. Bonds3

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

5-methoxy-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol (PubChem CID 135656363) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 5-methoxy-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
PubChem CID135656363
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC Name5-methoxy-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
SMILESCOc1ccc(-c2ncnc(C(F)(F)F)c2-c2ccccc2)c(O)c1
InChIInChI=1S/C18H13F3N2O2/c1-25-12-7-8-13(14(24)9-12)16-15(11-5-3-2-4-6-11)17(18(19,20)21)23-10-22-16/h2-10,24H,1H3
InChIKeyGJGPXFKFNFQCCC-UHFFFAOYSA-N
XLogP4.54
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-methylphenyl)methoxy]-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
CID 135651773
5-[(4-fluorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol
CID 135651708
5-[(3-chlorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol
CID 135651291
5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 943784
5-methoxy-2-[5-(4-methoxyphenyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
CID 2035295
2-[2-amino-5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]-5-(2-methylprop-2-enoxy)phenol
CID 135582824
2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-methoxyphenol
CID 1416432
5-methoxy-2-phenylphenol;propan-2-one
CID 175099013
4-methoxy-2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]phenol
CID 137317421
5-methoxy-2-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 143220402
5-methoxy-2-(4-phenyl-1,2-oxazol-5-yl)phenol
CID 135657525
2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol
CID 135651528

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
The IUPAC name of 5-methoxy-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol (CID 135656363) is 5-methoxy-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 5-methoxy-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 5-methoxy-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol is COc1ccc(-c2ncnc(C(F)(F)F)c2-c2ccccc2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
The InChIKey is GJGPXFKFNFQCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c1-25-12-7-8-13(14(24)9-12)16-15(11-5-3-2-4-6-11)17(18(19,20)21)23-10-22-16/h2-10,24H,1H3.
What are the key properties of 5-methoxy-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
5-methoxy-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol has a molecular weight of 346.31 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 135656363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).