5-(2,6-dimethylphenyl)-3-hydroxy-9-methylphenanthridin-6-one

C22H19NO2 — CID 102292024

IUPAC5-(2,6-dimethylphenyl)-3-hydroxy-9-methylphenanthridin-6-one
SMILESCc1ccc2c(=O)n(-c3c(C)cccc3C)c3cc(O)ccc3c2c1
InChIInChI=1S/C22H19NO2/c1-13-7-9-18-19(11-13)17-10-8-16(24)12-20(17)23(22(18)25)21-14(2)5-4-6-15(21)3/h4-12,24H,1-3H3
InChIKeyFIMBAMGTYFVWCD-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.77
Rot. Bonds1

About 5-(2,6-dimethylphenyl)-3-hydroxy-9-methylphenanthridin-6-one

5-(2,6-dimethylphenyl)-3-hydroxy-9-methylphenanthridin-6-one (PubChem CID 102292024) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-(2,6-dimethylphenyl)-3-hydroxy-9-methylphenanthridin-6-one.

Molecular Properties

Compound Name5-(2,6-dimethylphenyl)-3-hydroxy-9-methylphenanthridin-6-one
PubChem CID102292024
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name5-(2,6-dimethylphenyl)-3-hydroxy-9-methylphenanthridin-6-one
SMILESCc1ccc2c(=O)n(-c3c(C)cccc3C)c3cc(O)ccc3c2c1
InChIInChI=1S/C22H19NO2/c1-13-7-9-18-19(11-13)17-10-8-16(24)12-20(17)23(22(18)25)21-14(2)5-4-6-15(21)3/h4-12,24H,1-3H3
InChIKeyFIMBAMGTYFVWCD-UHFFFAOYSA-N
XLogP4.77
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-(2,6-dimethylphenyl)-3-hydroxy-9-methylphenanthridin-6-one?
The IUPAC name of 5-(2,6-dimethylphenyl)-3-hydroxy-9-methylphenanthridin-6-one (CID 102292024) is 5-(2,6-dimethylphenyl)-3-hydroxy-9-methylphenanthridin-6-one.
What is the SMILES notation for 5-(2,6-dimethylphenyl)-3-hydroxy-9-methylphenanthridin-6-one?
The canonical SMILES for 5-(2,6-dimethylphenyl)-3-hydroxy-9-methylphenanthridin-6-one is Cc1ccc2c(=O)n(-c3c(C)cccc3C)c3cc(O)ccc3c2c1.
What is the InChIKey of 5-(2,6-dimethylphenyl)-3-hydroxy-9-methylphenanthridin-6-one?
The InChIKey is FIMBAMGTYFVWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-13-7-9-18-19(11-13)17-10-8-16(24)12-20(17)23(22(18)25)21-14(2)5-4-6-15(21)3/h4-12,24H,1-3H3.
What are the key properties of 5-(2,6-dimethylphenyl)-3-hydroxy-9-methylphenanthridin-6-one?
5-(2,6-dimethylphenyl)-3-hydroxy-9-methylphenanthridin-6-one has a molecular weight of 329.40 g/mol, XLogP of 4.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylphenyl)-3-hydroxy-9-methylphenanthridin-6-one is sourced from PubChem (CID 102292024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).