1-benzofuran-2-yl-(2,4-difluorophenyl)-pyrimidin-5-ylmethanol

C19H12F2N2O2 — CID 54566305

IUPAC1-benzofuran-2-yl-(2,4-difluorophenyl)-pyrimidin-5-ylmethanol
SMILESOC(c1cncnc1)(c1cc2ccccc2o1)c1ccc(F)cc1F
InChIInChI=1S/C19H12F2N2O2/c20-14-5-6-15(16(21)8-14)19(24,13-9-22-11-23-10-13)18-7-12-3-1-2-4-17(12)25-18/h1-11,24H
InChIKeyZUBFROCDMSEKIX-UHFFFAOYSA-N
MW338.31 g/mol
LogP3.79
Rot. Bonds3

About 1-benzofuran-2-yl-(2,4-difluorophenyl)-pyrimidin-5-ylmethanol

1-benzofuran-2-yl-(2,4-difluorophenyl)-pyrimidin-5-ylmethanol (PubChem CID 54566305) has the molecular formula C19H12F2N2O2 and a molecular weight of 338.31 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(2,4-difluorophenyl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name1-benzofuran-2-yl-(2,4-difluorophenyl)-pyrimidin-5-ylmethanol
PubChem CID54566305
Molecular FormulaC19H12F2N2O2
Molecular Weight338.31 g/mol
Exact Mass338.09
IUPAC Name1-benzofuran-2-yl-(2,4-difluorophenyl)-pyrimidin-5-ylmethanol
SMILESOC(c1cncnc1)(c1cc2ccccc2o1)c1ccc(F)cc1F
InChIInChI=1S/C19H12F2N2O2/c20-14-5-6-15(16(21)8-14)19(24,13-9-22-11-23-10-13)18-7-12-3-1-2-4-17(12)25-18/h1-11,24H
InChIKeyZUBFROCDMSEKIX-UHFFFAOYSA-N
XLogP3.79
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(2,4-difluorophenyl)-pyrimidin-5-ylmethanol?
The IUPAC name of 1-benzofuran-2-yl-(2,4-difluorophenyl)-pyrimidin-5-ylmethanol (CID 54566305) is 1-benzofuran-2-yl-(2,4-difluorophenyl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for 1-benzofuran-2-yl-(2,4-difluorophenyl)-pyrimidin-5-ylmethanol?
The canonical SMILES for 1-benzofuran-2-yl-(2,4-difluorophenyl)-pyrimidin-5-ylmethanol is OC(c1cncnc1)(c1cc2ccccc2o1)c1ccc(F)cc1F.
What is the InChIKey of 1-benzofuran-2-yl-(2,4-difluorophenyl)-pyrimidin-5-ylmethanol?
The InChIKey is ZUBFROCDMSEKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N2O2/c20-14-5-6-15(16(21)8-14)19(24,13-9-22-11-23-10-13)18-7-12-3-1-2-4-17(12)25-18/h1-11,24H.
What are the key properties of 1-benzofuran-2-yl-(2,4-difluorophenyl)-pyrimidin-5-ylmethanol?
1-benzofuran-2-yl-(2,4-difluorophenyl)-pyrimidin-5-ylmethanol has a molecular weight of 338.31 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(2,4-difluorophenyl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 54566305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).