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

C23H17NO3 — CID 137100804

IUPAC2-[6-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-2-pyridinyl]phenol
SMILESOc1cccc(-c2cc(-c3ccccc3O)nc(-c3ccccc3O)c2)c1
InChIInChI=1S/C23H17NO3/c25-17-7-5-6-15(12-17)16-13-20(18-8-1-3-10-22(18)26)24-21(14-16)19-9-2-4-11-23(19)27/h1-14,25-27H
InChIKeyNKOICESOFLEBFX-UHFFFAOYSA-N
MW355.39 g/mol
LogP5.20
Rot. Bonds3

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

2-[6-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-2-pyridinyl]phenol (PubChem CID 137100804) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[6-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[6-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-2-pyridinyl]phenol
PubChem CID137100804
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC Name2-[6-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-2-pyridinyl]phenol
SMILESOc1cccc(-c2cc(-c3ccccc3O)nc(-c3ccccc3O)c2)c1
InChIInChI=1S/C23H17NO3/c25-17-7-5-6-15(12-17)16-13-20(18-8-1-3-10-22(18)26)24-21(14-16)19-9-2-4-11-23(19)27/h1-14,25-27H
InChIKeyNKOICESOFLEBFX-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 2-[6-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-2-pyridinyl]phenol?
The IUPAC name of 2-[6-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-2-pyridinyl]phenol (CID 137100804) is 2-[6-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-2-pyridinyl]phenol.
What is the SMILES notation for 2-[6-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-2-pyridinyl]phenol?
The canonical SMILES for 2-[6-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-2-pyridinyl]phenol is Oc1cccc(-c2cc(-c3ccccc3O)nc(-c3ccccc3O)c2)c1.
What is the InChIKey of 2-[6-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-2-pyridinyl]phenol?
The InChIKey is NKOICESOFLEBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO3/c25-17-7-5-6-15(12-17)16-13-20(18-8-1-3-10-22(18)26)24-21(14-16)19-9-2-4-11-23(19)27/h1-14,25-27H.
What are the key properties of 2-[6-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-2-pyridinyl]phenol?
2-[6-(2-hydroxyphenyl)-4-(3-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 2-[6-(2-hydroxyphenyl)-4-(3-hydroxyphenyl)-2-pyridinyl]phenol is sourced from PubChem (CID 137100804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).