12-(3-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one

C22H18N2O2 — CID 2970147

IUPAC12-(3-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one
SMILESO=C1CCCC2=C1C(c1cccc(O)c1)c1c(ccc3ncccc13)N2
InChIInChI=1S/C22H18N2O2/c25-14-5-1-4-13(12-14)20-21-15-6-3-11-23-16(15)9-10-18(21)24-17-7-2-8-19(26)22(17)20/h1,3-6,9-12,20,24-25H,2,7-8H2
InChIKeyRNOYAVJBRJOTFY-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.50
Rot. Bonds1

About 12-(3-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one

12-(3-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one (PubChem CID 2970147) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 12-(3-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one.

Molecular Properties

Compound Name12-(3-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one
PubChem CID2970147
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name12-(3-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one
SMILESO=C1CCCC2=C1C(c1cccc(O)c1)c1c(ccc3ncccc13)N2
InChIInChI=1S/C22H18N2O2/c25-14-5-1-4-13(12-14)20-21-15-6-3-11-23-16(15)9-10-18(21)24-17-7-2-8-19(26)22(17)20/h1,3-6,9-12,20,24-25H,2,7-8H2
InChIKeyRNOYAVJBRJOTFY-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 12-(3-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one?
The IUPAC name of 12-(3-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one (CID 2970147) is 12-(3-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one.
What is the SMILES notation for 12-(3-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one?
The canonical SMILES for 12-(3-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one is O=C1CCCC2=C1C(c1cccc(O)c1)c1c(ccc3ncccc13)N2.
What is the InChIKey of 12-(3-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one?
The InChIKey is RNOYAVJBRJOTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-14-5-1-4-13(12-14)20-21-15-6-3-11-23-16(15)9-10-18(21)24-17-7-2-8-19(26)22(17)20/h1,3-6,9-12,20,24-25H,2,7-8H2.
What are the key properties of 12-(3-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one?
12-(3-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one has a molecular weight of 342.40 g/mol, XLogP of 4.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one is sourced from PubChem (CID 2970147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).