2-[4-[(4-fluorophenyl)methoxy]-6-methylpyrimidin-2-yl]phenol

C18H15FN2O2 — CID 781265

IUPAC2-[4-[(4-fluorophenyl)methoxy]-6-methylpyrimidin-2-yl]phenol
SMILESCc1cc(OCc2ccc(F)cc2)nc(-c2ccccc2O)n1
InChIInChI=1S/C18H15FN2O2/c1-12-10-17(23-11-13-6-8-14(19)9-7-13)21-18(20-12)15-4-2-3-5-16(15)22/h2-10,22H,11H2,1H3
InChIKeyXCSNIRGZWNEWHW-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.88
Rot. Bonds4

About 2-[4-[(4-fluorophenyl)methoxy]-6-methylpyrimidin-2-yl]phenol

2-[4-[(4-fluorophenyl)methoxy]-6-methylpyrimidin-2-yl]phenol (PubChem CID 781265) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methoxy]-6-methylpyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methoxy]-6-methylpyrimidin-2-yl]phenol
PubChem CID781265
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name2-[4-[(4-fluorophenyl)methoxy]-6-methylpyrimidin-2-yl]phenol
SMILESCc1cc(OCc2ccc(F)cc2)nc(-c2ccccc2O)n1
InChIInChI=1S/C18H15FN2O2/c1-12-10-17(23-11-13-6-8-14(19)9-7-13)21-18(20-12)15-4-2-3-5-16(15)22/h2-10,22H,11H2,1H3
InChIKeyXCSNIRGZWNEWHW-UHFFFAOYSA-N
XLogP3.88
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methoxy]-6-methylpyrimidin-2-yl]phenol?
The IUPAC name of 2-[4-[(4-fluorophenyl)methoxy]-6-methylpyrimidin-2-yl]phenol (CID 781265) is 2-[4-[(4-fluorophenyl)methoxy]-6-methylpyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methoxy]-6-methylpyrimidin-2-yl]phenol?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methoxy]-6-methylpyrimidin-2-yl]phenol is Cc1cc(OCc2ccc(F)cc2)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methoxy]-6-methylpyrimidin-2-yl]phenol?
The InChIKey is XCSNIRGZWNEWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-12-10-17(23-11-13-6-8-14(19)9-7-13)21-18(20-12)15-4-2-3-5-16(15)22/h2-10,22H,11H2,1H3.
What are the key properties of 2-[4-[(4-fluorophenyl)methoxy]-6-methylpyrimidin-2-yl]phenol?
2-[4-[(4-fluorophenyl)methoxy]-6-methylpyrimidin-2-yl]phenol has a molecular weight of 310.33 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methoxy]-6-methylpyrimidin-2-yl]phenol is sourced from PubChem (CID 781265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).