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

C22H18N2O2 — CID 704867

IUPAC(8S)-8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
SMILESO=C1CCCC2=C1[C@H](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/t22-/m0/s1
InChIKeyFNKTUJOPVMRUQM-QFIPXVFZSA-N
MW342.40 g/mol
LogP4.61
Rot. Bonds1

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

(8S)-8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one (PubChem CID 704867) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (8S)-8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one.

Molecular Properties

Compound Name(8S)-8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
PubChem CID704867
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name(8S)-8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
SMILESO=C1CCCC2=C1[C@H](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/t22-/m0/s1
InChIKeyFNKTUJOPVMRUQM-QFIPXVFZSA-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

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

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Related Compounds

8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
CID 2833824
(8R)-8-(4-methoxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
CID 1142176
(8R)-8-(4-hydroxy-3-methoxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
CID 1076286
(8R)-8-(3-ethoxy-4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
CID 2052566
8-(2-fluorophenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
CID 619380
8-(2-iodophenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
CID 2946722
(8R)-8-(2,4-dimethoxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
CID 1129925
(8S)-8-(5-bromo-2-methoxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
CID 41249008
[2-methoxy-4-[(8S)-9-oxo-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-8-yl]phenyl] 4-bromobenzoate
CID 94479075
(5R)-5-(4-fluorophenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one
CID 6543509
(5R)-5-(3-ethoxy-4-hydroxyphenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one
CID 1105732
11-phenyl-8-(4-phenylmethoxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
CID 5171453

Frequently Asked Questions

What is the IUPAC name of (8S)-8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
The IUPAC name of (8S)-8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one (CID 704867) is (8S)-8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one.
What is the SMILES notation for (8S)-8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
The canonical SMILES for (8S)-8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one is O=C1CCCC2=C1[C@H](c1ccc(O)cc1)Nc1ccc3ncccc3c12.
What is the InChIKey of (8S)-8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
The InChIKey is FNKTUJOPVMRUQM-QFIPXVFZSA-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/t22-/m0/s1.
What are the key properties of (8S)-8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
(8S)-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 (8S)-8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one is sourced from PubChem (CID 704867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).