4-[9-(4-hydroxyphenyl)-1,10-phenanthrolin-2-yl]phenol

C24H16N2O2 — CID 135678323

IUPAC4-[9-(4-hydroxyphenyl)-1,10-phenanthrolin-2-yl]phenol
SMILESOc1ccc(-c2ccc3ccc4ccc(-c5ccc(O)cc5)nc4c3n2)cc1
InChIInChI=1S/C24H16N2O2/c27-19-9-3-15(4-10-19)21-13-7-17-1-2-18-8-14-22(26-24(18)23(17)25-21)16-5-11-20(28)12-6-16/h1-14,27-28H
InChIKeyGTOXEYAZDAJKFU-UHFFFAOYSA-N
MW364.40 g/mol
LogP5.53
Rot. Bonds2

About 4-[9-(4-hydroxyphenyl)-1,10-phenanthrolin-2-yl]phenol

4-[9-(4-hydroxyphenyl)-1,10-phenanthrolin-2-yl]phenol (PubChem CID 135678323) has the molecular formula C24H16N2O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-[9-(4-hydroxyphenyl)-1,10-phenanthrolin-2-yl]phenol.

Molecular Properties

Compound Name4-[9-(4-hydroxyphenyl)-1,10-phenanthrolin-2-yl]phenol
PubChem CID135678323
Molecular FormulaC24H16N2O2
Molecular Weight364.40 g/mol
Exact Mass364.12
IUPAC Name4-[9-(4-hydroxyphenyl)-1,10-phenanthrolin-2-yl]phenol
SMILESOc1ccc(-c2ccc3ccc4ccc(-c5ccc(O)cc5)nc4c3n2)cc1
InChIInChI=1S/C24H16N2O2/c27-19-9-3-15(4-10-19)21-13-7-17-1-2-18-8-14-22(26-24(18)23(17)25-21)16-5-11-20(28)12-6-16/h1-14,27-28H
InChIKeyGTOXEYAZDAJKFU-UHFFFAOYSA-N
XLogP5.53
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-hydroxyphenyl)-1,10-phenanthrolin-2-yl]phenol?
The IUPAC name of 4-[9-(4-hydroxyphenyl)-1,10-phenanthrolin-2-yl]phenol (CID 135678323) is 4-[9-(4-hydroxyphenyl)-1,10-phenanthrolin-2-yl]phenol.
What is the SMILES notation for 4-[9-(4-hydroxyphenyl)-1,10-phenanthrolin-2-yl]phenol?
The canonical SMILES for 4-[9-(4-hydroxyphenyl)-1,10-phenanthrolin-2-yl]phenol is Oc1ccc(-c2ccc3ccc4ccc(-c5ccc(O)cc5)nc4c3n2)cc1.
What is the InChIKey of 4-[9-(4-hydroxyphenyl)-1,10-phenanthrolin-2-yl]phenol?
The InChIKey is GTOXEYAZDAJKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O2/c27-19-9-3-15(4-10-19)21-13-7-17-1-2-18-8-14-22(26-24(18)23(17)25-21)16-5-11-20(28)12-6-16/h1-14,27-28H.
What are the key properties of 4-[9-(4-hydroxyphenyl)-1,10-phenanthrolin-2-yl]phenol?
4-[9-(4-hydroxyphenyl)-1,10-phenanthrolin-2-yl]phenol has a molecular weight of 364.40 g/mol, XLogP of 5.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-hydroxyphenyl)-1,10-phenanthrolin-2-yl]phenol is sourced from PubChem (CID 135678323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).