1-benzofuran-2-yl-(4-methoxyphenyl)-pyridin-3-ylmethanol

C21H17NO3 — CID 57340428

IUPAC1-benzofuran-2-yl-(4-methoxyphenyl)-pyridin-3-ylmethanol
SMILESCOc1ccc(C(O)(c2cccnc2)c2cc3ccccc3o2)cc1
InChIInChI=1S/C21H17NO3/c1-24-18-10-8-16(9-11-18)21(23,17-6-4-12-22-14-17)20-13-15-5-2-3-7-19(15)25-20/h2-14,23H,1H3
InChIKeyRYJWFCXYUSYRLE-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.12
Rot. Bonds4

About 1-benzofuran-2-yl-(4-methoxyphenyl)-pyridin-3-ylmethanol

1-benzofuran-2-yl-(4-methoxyphenyl)-pyridin-3-ylmethanol (PubChem CID 57340428) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(4-methoxyphenyl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name1-benzofuran-2-yl-(4-methoxyphenyl)-pyridin-3-ylmethanol
PubChem CID57340428
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name1-benzofuran-2-yl-(4-methoxyphenyl)-pyridin-3-ylmethanol
SMILESCOc1ccc(C(O)(c2cccnc2)c2cc3ccccc3o2)cc1
InChIInChI=1S/C21H17NO3/c1-24-18-10-8-16(9-11-18)21(23,17-6-4-12-22-14-17)20-13-15-5-2-3-7-19(15)25-20/h2-14,23H,1H3
InChIKeyRYJWFCXYUSYRLE-UHFFFAOYSA-N
XLogP4.12
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.12
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-(4-methoxyphenyl)-pyridin-3-ylmethanol?
The IUPAC name of 1-benzofuran-2-yl-(4-methoxyphenyl)-pyridin-3-ylmethanol (CID 57340428) is 1-benzofuran-2-yl-(4-methoxyphenyl)-pyridin-3-ylmethanol.
What is the SMILES notation for 1-benzofuran-2-yl-(4-methoxyphenyl)-pyridin-3-ylmethanol?
The canonical SMILES for 1-benzofuran-2-yl-(4-methoxyphenyl)-pyridin-3-ylmethanol is COc1ccc(C(O)(c2cccnc2)c2cc3ccccc3o2)cc1.
What is the InChIKey of 1-benzofuran-2-yl-(4-methoxyphenyl)-pyridin-3-ylmethanol?
The InChIKey is RYJWFCXYUSYRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-24-18-10-8-16(9-11-18)21(23,17-6-4-12-22-14-17)20-13-15-5-2-3-7-19(15)25-20/h2-14,23H,1H3.
What are the key properties of 1-benzofuran-2-yl-(4-methoxyphenyl)-pyridin-3-ylmethanol?
1-benzofuran-2-yl-(4-methoxyphenyl)-pyridin-3-ylmethanol has a molecular weight of 331.37 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(4-methoxyphenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 57340428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).