6-[4-[(2-fluorophenyl)methoxy]-6-phenylpyrimidin-2-yl]naphthalen-2-ol

C27H19FN2O2 — CID 135932197

IUPAC6-[4-[(2-fluorophenyl)methoxy]-6-phenylpyrimidin-2-yl]naphthalen-2-ol
SMILESOc1ccc2cc(-c3nc(OCc4ccccc4F)cc(-c4ccccc4)n3)ccc2c1
InChIInChI=1S/C27H19FN2O2/c28-24-9-5-4-8-22(24)17-32-26-16-25(18-6-2-1-3-7-18)29-27(30-26)21-11-10-20-15-23(31)13-12-19(20)14-21/h1-16,31H,17H2
InChIKeyMWTHCHYHDDXSPJ-UHFFFAOYSA-N
MW422.46 g/mol
LogP6.39
Rot. Bonds5

About 6-[4-[(2-fluorophenyl)methoxy]-6-phenylpyrimidin-2-yl]naphthalen-2-ol

6-[4-[(2-fluorophenyl)methoxy]-6-phenylpyrimidin-2-yl]naphthalen-2-ol (PubChem CID 135932197) has the molecular formula C27H19FN2O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is 6-[4-[(2-fluorophenyl)methoxy]-6-phenylpyrimidin-2-yl]naphthalen-2-ol.

Molecular Properties

Compound Name6-[4-[(2-fluorophenyl)methoxy]-6-phenylpyrimidin-2-yl]naphthalen-2-ol
PubChem CID135932197
Molecular FormulaC27H19FN2O2
Molecular Weight422.46 g/mol
Exact Mass422.14
IUPAC Name6-[4-[(2-fluorophenyl)methoxy]-6-phenylpyrimidin-2-yl]naphthalen-2-ol
SMILESOc1ccc2cc(-c3nc(OCc4ccccc4F)cc(-c4ccccc4)n3)ccc2c1
InChIInChI=1S/C27H19FN2O2/c28-24-9-5-4-8-22(24)17-32-26-16-25(18-6-2-1-3-7-18)29-27(30-26)21-11-10-20-15-23(31)13-12-19(20)14-21/h1-16,31H,17H2
InChIKeyMWTHCHYHDDXSPJ-UHFFFAOYSA-N
XLogP6.39
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.46
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2-fluorophenyl)methoxy]-6-phenylpyrimidin-2-yl]naphthalen-2-ol?
The IUPAC name of 6-[4-[(2-fluorophenyl)methoxy]-6-phenylpyrimidin-2-yl]naphthalen-2-ol (CID 135932197) is 6-[4-[(2-fluorophenyl)methoxy]-6-phenylpyrimidin-2-yl]naphthalen-2-ol.
What is the SMILES notation for 6-[4-[(2-fluorophenyl)methoxy]-6-phenylpyrimidin-2-yl]naphthalen-2-ol?
The canonical SMILES for 6-[4-[(2-fluorophenyl)methoxy]-6-phenylpyrimidin-2-yl]naphthalen-2-ol is Oc1ccc2cc(-c3nc(OCc4ccccc4F)cc(-c4ccccc4)n3)ccc2c1.
What is the InChIKey of 6-[4-[(2-fluorophenyl)methoxy]-6-phenylpyrimidin-2-yl]naphthalen-2-ol?
The InChIKey is MWTHCHYHDDXSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN2O2/c28-24-9-5-4-8-22(24)17-32-26-16-25(18-6-2-1-3-7-18)29-27(30-26)21-11-10-20-15-23(31)13-12-19(20)14-21/h1-16,31H,17H2.
What are the key properties of 6-[4-[(2-fluorophenyl)methoxy]-6-phenylpyrimidin-2-yl]naphthalen-2-ol?
6-[4-[(2-fluorophenyl)methoxy]-6-phenylpyrimidin-2-yl]naphthalen-2-ol has a molecular weight of 422.46 g/mol, XLogP of 6.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2-fluorophenyl)methoxy]-6-phenylpyrimidin-2-yl]naphthalen-2-ol is sourced from PubChem (CID 135932197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).