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

C21H15NO3 — CID 137091033

IUPAC3-[4-(furan-3-yl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol
SMILESOc1ccc(-c2cc(-c3ccoc3)cc(-c3cccc(O)c3)n2)cc1
InChIInChI=1S/C21H15NO3/c23-18-6-4-14(5-7-18)20-11-17(16-8-9-25-13-16)12-21(22-20)15-2-1-3-19(24)10-15/h1-13,23-24H
InChIKeyMWWOUIBYXTXLHQ-UHFFFAOYSA-N
MW329.36 g/mol
LogP5.09
Rot. Bonds3

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

3-[4-(furan-3-yl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol (PubChem CID 137091033) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-[4-(furan-3-yl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-[4-(furan-3-yl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol
PubChem CID137091033
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name3-[4-(furan-3-yl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol
SMILESOc1ccc(-c2cc(-c3ccoc3)cc(-c3cccc(O)c3)n2)cc1
InChIInChI=1S/C21H15NO3/c23-18-6-4-14(5-7-18)20-11-17(16-8-9-25-13-16)12-21(22-20)15-2-1-3-19(24)10-15/h1-13,23-24H
InChIKeyMWWOUIBYXTXLHQ-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 3-[4-(furan-3-yl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol?
The IUPAC name of 3-[4-(furan-3-yl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol (CID 137091033) is 3-[4-(furan-3-yl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol.
What is the SMILES notation for 3-[4-(furan-3-yl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol?
The canonical SMILES for 3-[4-(furan-3-yl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol is Oc1ccc(-c2cc(-c3ccoc3)cc(-c3cccc(O)c3)n2)cc1.
What is the InChIKey of 3-[4-(furan-3-yl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol?
The InChIKey is MWWOUIBYXTXLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c23-18-6-4-14(5-7-18)20-11-17(16-8-9-25-13-16)12-21(22-20)15-2-1-3-19(24)10-15/h1-13,23-24H.
What are the key properties of 3-[4-(furan-3-yl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol?
3-[4-(furan-3-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 3-[4-(furan-3-yl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol is sourced from PubChem (CID 137091033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).