3-[2-(furan-2-yl)-6-phenyl-4-pyridinyl]phenol

C21H15NO2 — CID 46887244

IUPAC3-[2-(furan-2-yl)-6-phenyl-4-pyridinyl]phenol
SMILESOc1cccc(-c2cc(-c3ccccc3)nc(-c3ccco3)c2)c1
InChIInChI=1S/C21H15NO2/c23-18-9-4-8-16(12-18)17-13-19(15-6-2-1-3-7-15)22-20(14-17)21-10-5-11-24-21/h1-14,23H
InChIKeyBGBBGQYISCJZSA-UHFFFAOYSA-N
MW313.36 g/mol
LogP5.38
Rot. Bonds3

About 3-[2-(furan-2-yl)-6-phenyl-4-pyridinyl]phenol

3-[2-(furan-2-yl)-6-phenyl-4-pyridinyl]phenol (PubChem CID 46887244) has the molecular formula C21H15NO2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-[2-(furan-2-yl)-6-phenyl-4-pyridinyl]phenol.

Molecular Properties

Compound Name3-[2-(furan-2-yl)-6-phenyl-4-pyridinyl]phenol
PubChem CID46887244
Molecular FormulaC21H15NO2
Molecular Weight313.36 g/mol
Exact Mass313.11
IUPAC Name3-[2-(furan-2-yl)-6-phenyl-4-pyridinyl]phenol
SMILESOc1cccc(-c2cc(-c3ccccc3)nc(-c3ccco3)c2)c1
InChIInChI=1S/C21H15NO2/c23-18-9-4-8-16(12-18)17-13-19(15-6-2-1-3-7-15)22-20(14-17)21-10-5-11-24-21/h1-14,23H
InChIKeyBGBBGQYISCJZSA-UHFFFAOYSA-N
XLogP5.38
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.36
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-yl)-6-phenyl-4-pyridinyl]phenol?
The IUPAC name of 3-[2-(furan-2-yl)-6-phenyl-4-pyridinyl]phenol (CID 46887244) is 3-[2-(furan-2-yl)-6-phenyl-4-pyridinyl]phenol.
What is the SMILES notation for 3-[2-(furan-2-yl)-6-phenyl-4-pyridinyl]phenol?
The canonical SMILES for 3-[2-(furan-2-yl)-6-phenyl-4-pyridinyl]phenol is Oc1cccc(-c2cc(-c3ccccc3)nc(-c3ccco3)c2)c1.
What is the InChIKey of 3-[2-(furan-2-yl)-6-phenyl-4-pyridinyl]phenol?
The InChIKey is BGBBGQYISCJZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2/c23-18-9-4-8-16(12-18)17-13-19(15-6-2-1-3-7-15)22-20(14-17)21-10-5-11-24-21/h1-14,23H.
What are the key properties of 3-[2-(furan-2-yl)-6-phenyl-4-pyridinyl]phenol?
3-[2-(furan-2-yl)-6-phenyl-4-pyridinyl]phenol has a molecular weight of 313.36 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-yl)-6-phenyl-4-pyridinyl]phenol is sourced from PubChem (CID 46887244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).