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

C21H15NO3 — CID 137091030

IUPAC4-[4-(furan-2-yl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol
SMILESOc1ccc(-c2cc(-c3ccco3)cc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C21H15NO3/c23-17-7-3-14(4-8-17)19-12-16(21-2-1-11-25-21)13-20(22-19)15-5-9-18(24)10-6-15/h1-13,23-24H
InChIKeyFCMIXXNQTIAYFZ-UHFFFAOYSA-N
MW329.36 g/mol
LogP5.09
Rot. Bonds3

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

4-[4-(furan-2-yl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol (PubChem CID 137091030) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-[4-(furan-2-yl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-[4-(furan-2-yl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol
PubChem CID137091030
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name4-[4-(furan-2-yl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol
SMILESOc1ccc(-c2cc(-c3ccco3)cc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C21H15NO3/c23-17-7-3-14(4-8-17)19-12-16(21-2-1-11-25-21)13-20(22-19)15-5-9-18(24)10-6-15/h1-13,23-24H
InChIKeyFCMIXXNQTIAYFZ-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 4-[4-(furan-2-yl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol?
The IUPAC name of 4-[4-(furan-2-yl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol (CID 137091030) is 4-[4-(furan-2-yl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol.
What is the SMILES notation for 4-[4-(furan-2-yl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol?
The canonical SMILES for 4-[4-(furan-2-yl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol is Oc1ccc(-c2cc(-c3ccco3)cc(-c3ccc(O)cc3)n2)cc1.
What is the InChIKey of 4-[4-(furan-2-yl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol?
The InChIKey is FCMIXXNQTIAYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c23-17-7-3-14(4-8-17)19-12-16(21-2-1-11-25-21)13-20(22-19)15-5-9-18(24)10-6-15/h1-13,23-24H.
What are the key properties of 4-[4-(furan-2-yl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol?
4-[4-(furan-2-yl)-6-(4-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 4-[4-(furan-2-yl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol is sourced from PubChem (CID 137091030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).