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

C25H18F4N2O3 — CID 135651708

IUPAC5-[(4-fluorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol
SMILESCOc1ccc(-c2c(-c3ccc(OCc4ccc(F)cc4)cc3O)ncnc2C(F)(F)F)cc1
InChIInChI=1S/C25H18F4N2O3/c1-33-18-8-4-16(5-9-18)22-23(30-14-31-24(22)25(27,28)29)20-11-10-19(12-21(20)32)34-13-15-2-6-17(26)7-3-15/h2-12,14,32H,13H2,1H3
InChIKeyGDIMDHOGKPJRNN-UHFFFAOYSA-N
MW470.42 g/mol
LogP6.26
Rot. Bonds6

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

5-[(4-fluorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol (PubChem CID 135651708) has the molecular formula C25H18F4N2O3 and a molecular weight of 470.42 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol
PubChem CID135651708
Molecular FormulaC25H18F4N2O3
Molecular Weight470.42 g/mol
Exact Mass470.13
IUPAC Name5-[(4-fluorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol
SMILESCOc1ccc(-c2c(-c3ccc(OCc4ccc(F)cc4)cc3O)ncnc2C(F)(F)F)cc1
InChIInChI=1S/C25H18F4N2O3/c1-33-18-8-4-16(5-9-18)22-23(30-14-31-24(22)25(27,28)29)20-11-10-19(12-21(20)32)34-13-15-2-6-17(26)7-3-15/h2-12,14,32H,13H2,1H3
InChIKeyGDIMDHOGKPJRNN-UHFFFAOYSA-N
XLogP6.26
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.42
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-chlorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol
CID 135651291
5-methoxy-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
CID 135656363
5-[(2-methylphenyl)methoxy]-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
CID 135651773
2-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(4-methylphenyl)methoxy]phenol
CID 2035965
5-methoxy-2-[5-(4-methoxyphenyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
CID 2035295
2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol
CID 2022938
2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol
CID 135651528
2-[2-amino-5-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(2-chloro-4-fluorophenyl)methoxy]phenol
CID 135652219
2-[4-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[(4-chlorophenyl)methoxy]phenol
CID 137196381
2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-methoxyphenol
CID 1416432
2-[2-amino-5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]-5-(2-methylprop-2-enoxy)phenol
CID 135582824
5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 943784

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol (CID 135651708) is 5-[(4-fluorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol is COc1ccc(-c2c(-c3ccc(OCc4ccc(F)cc4)cc3O)ncnc2C(F)(F)F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
The InChIKey is GDIMDHOGKPJRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F4N2O3/c1-33-18-8-4-16(5-9-18)22-23(30-14-31-24(22)25(27,28)29)20-11-10-19(12-21(20)32)34-13-15-2-6-17(26)7-3-15/h2-12,14,32H,13H2,1H3.
What are the key properties of 5-[(4-fluorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
5-[(4-fluorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol has a molecular weight of 470.42 g/mol, XLogP of 6.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 135651708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).