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

C21H15NO3 — CID 137091027

IUPAC2-[4-(furan-2-yl)-6-(3-hydroxyphenyl)-2-pyridinyl]phenol
SMILESOc1cccc(-c2cc(-c3ccco3)cc(-c3ccccc3O)n2)c1
InChIInChI=1S/C21H15NO3/c23-16-6-3-5-14(11-16)18-12-15(21-9-4-10-25-21)13-19(22-18)17-7-1-2-8-20(17)24/h1-13,23-24H
InChIKeyRLHDACOAKSGEAY-UHFFFAOYSA-N
MW329.36 g/mol
LogP5.09
Rot. Bonds3

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

2-[4-(furan-2-yl)-6-(3-hydroxyphenyl)-2-pyridinyl]phenol (PubChem CID 137091027) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)-6-(3-hydroxyphenyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[4-(furan-2-yl)-6-(3-hydroxyphenyl)-2-pyridinyl]phenol
PubChem CID137091027
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name2-[4-(furan-2-yl)-6-(3-hydroxyphenyl)-2-pyridinyl]phenol
SMILESOc1cccc(-c2cc(-c3ccco3)cc(-c3ccccc3O)n2)c1
InChIInChI=1S/C21H15NO3/c23-16-6-3-5-14(11-16)18-12-15(21-9-4-10-25-21)13-19(22-18)17-7-1-2-8-20(17)24/h1-13,23-24H
InChIKeyRLHDACOAKSGEAY-UHFFFAOYSA-N
XLogP5.09
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.36
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)-6-(3-hydroxyphenyl)-2-pyridinyl]phenol?
The IUPAC name of 2-[4-(furan-2-yl)-6-(3-hydroxyphenyl)-2-pyridinyl]phenol (CID 137091027) is 2-[4-(furan-2-yl)-6-(3-hydroxyphenyl)-2-pyridinyl]phenol.
What is the SMILES notation for 2-[4-(furan-2-yl)-6-(3-hydroxyphenyl)-2-pyridinyl]phenol?
The canonical SMILES for 2-[4-(furan-2-yl)-6-(3-hydroxyphenyl)-2-pyridinyl]phenol is Oc1cccc(-c2cc(-c3ccco3)cc(-c3ccccc3O)n2)c1.
What is the InChIKey of 2-[4-(furan-2-yl)-6-(3-hydroxyphenyl)-2-pyridinyl]phenol?
The InChIKey is RLHDACOAKSGEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c23-16-6-3-5-14(11-16)18-12-15(21-9-4-10-25-21)13-19(22-18)17-7-1-2-8-20(17)24/h1-13,23-24H.
What are the key properties of 2-[4-(furan-2-yl)-6-(3-hydroxyphenyl)-2-pyridinyl]phenol?
2-[4-(furan-2-yl)-6-(3-hydroxyphenyl)-2-pyridinyl]phenol has a molecular weight of 329.36 g/mol, XLogP of 5.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)-6-(3-hydroxyphenyl)-2-pyridinyl]phenol is sourced from PubChem (CID 137091027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).