8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one

C22H18N2O2 — CID 2833824

IUPAC8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
SMILESO=C1CCCC2=C1C(c1ccc(O)cc1)Nc1ccc3ncccc3c12
InChIInChI=1S/C22H18N2O2/c25-14-8-6-13(7-9-14)22-21-16(3-1-5-19(21)26)20-15-4-2-12-23-17(15)10-11-18(20)24-22/h2,4,6-12,22,24-25H,1,3,5H2
InChIKeyFNKTUJOPVMRUQM-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.61
Rot. Bonds1

About 8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one

8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one (PubChem CID 2833824) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one.

Molecular Properties

Compound Name8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
PubChem CID2833824
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
SMILESO=C1CCCC2=C1C(c1ccc(O)cc1)Nc1ccc3ncccc3c12
InChIInChI=1S/C22H18N2O2/c25-14-8-6-13(7-9-14)22-21-16(3-1-5-19(21)26)20-15-4-2-12-23-17(15)10-11-18(20)24-22/h2,4,6-12,22,24-25H,1,3,5H2
InChIKeyFNKTUJOPVMRUQM-UHFFFAOYSA-N
XLogP4.61
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
The IUPAC name of 8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one (CID 2833824) is 8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one.
What is the SMILES notation for 8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
The canonical SMILES for 8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one is O=C1CCCC2=C1C(c1ccc(O)cc1)Nc1ccc3ncccc3c12.
What is the InChIKey of 8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
The InChIKey is FNKTUJOPVMRUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-14-8-6-13(7-9-14)22-21-16(3-1-5-19(21)26)20-15-4-2-12-23-17(15)10-11-18(20)24-22/h2,4,6-12,22,24-25H,1,3,5H2.
What are the key properties of 8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one has a molecular weight of 342.40 g/mol, XLogP of 4.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one is sourced from PubChem (CID 2833824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).