3-[4,6-bis(4-hydroxyphenyl)-2-pyridinyl]phenol

C23H17NO3 — CID 137100818

IUPAC3-[4,6-bis(4-hydroxyphenyl)-2-pyridinyl]phenol
SMILESOc1ccc(-c2cc(-c3ccc(O)cc3)nc(-c3cccc(O)c3)c2)cc1
InChIInChI=1S/C23H17NO3/c25-19-8-4-15(5-9-19)18-13-22(16-6-10-20(26)11-7-16)24-23(14-18)17-2-1-3-21(27)12-17/h1-14,25-27H
InChIKeyCFBHXVGIJPXMDZ-UHFFFAOYSA-N
MW355.39 g/mol
LogP5.20
Rot. Bonds3

About 3-[4,6-bis(4-hydroxyphenyl)-2-pyridinyl]phenol

3-[4,6-bis(4-hydroxyphenyl)-2-pyridinyl]phenol (PubChem CID 137100818) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-[4,6-bis(4-hydroxyphenyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-[4,6-bis(4-hydroxyphenyl)-2-pyridinyl]phenol
PubChem CID137100818
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC Name3-[4,6-bis(4-hydroxyphenyl)-2-pyridinyl]phenol
SMILESOc1ccc(-c2cc(-c3ccc(O)cc3)nc(-c3cccc(O)c3)c2)cc1
InChIInChI=1S/C23H17NO3/c25-19-8-4-15(5-9-19)18-13-22(16-6-10-20(26)11-7-16)24-23(14-18)17-2-1-3-21(27)12-17/h1-14,25-27H
InChIKeyCFBHXVGIJPXMDZ-UHFFFAOYSA-N
XLogP5.20
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.39
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4,6-bis(4-hydroxyphenyl)-2-pyridinyl]phenol?
The IUPAC name of 3-[4,6-bis(4-hydroxyphenyl)-2-pyridinyl]phenol (CID 137100818) is 3-[4,6-bis(4-hydroxyphenyl)-2-pyridinyl]phenol.
What is the SMILES notation for 3-[4,6-bis(4-hydroxyphenyl)-2-pyridinyl]phenol?
The canonical SMILES for 3-[4,6-bis(4-hydroxyphenyl)-2-pyridinyl]phenol is Oc1ccc(-c2cc(-c3ccc(O)cc3)nc(-c3cccc(O)c3)c2)cc1.
What is the InChIKey of 3-[4,6-bis(4-hydroxyphenyl)-2-pyridinyl]phenol?
The InChIKey is CFBHXVGIJPXMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO3/c25-19-8-4-15(5-9-19)18-13-22(16-6-10-20(26)11-7-16)24-23(14-18)17-2-1-3-21(27)12-17/h1-14,25-27H.
What are the key properties of 3-[4,6-bis(4-hydroxyphenyl)-2-pyridinyl]phenol?
3-[4,6-bis(4-hydroxyphenyl)-2-pyridinyl]phenol has a molecular weight of 355.39 g/mol, XLogP of 5.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-bis(4-hydroxyphenyl)-2-pyridinyl]phenol is sourced from PubChem (CID 137100818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).