5-(2,6-dimethylphenyl)-3-hydroxy-8-(trifluoromethyl)phenanthridin-6-one

C22H16F3NO2 — CID 102292035

IUPAC5-(2,6-dimethylphenyl)-3-hydroxy-8-(trifluoromethyl)phenanthridin-6-one
SMILESCc1cccc(C)c1-n1c(=O)c2cc(C(F)(F)F)ccc2c2ccc(O)cc21
InChIInChI=1S/C22H16F3NO2/c1-12-4-3-5-13(2)20(12)26-19-11-15(27)7-9-17(19)16-8-6-14(22(23,24)25)10-18(16)21(26)28/h3-11,27H,1-2H3
InChIKeyZAJKEIHERQLZDS-UHFFFAOYSA-N
MW383.37 g/mol
LogP5.49
Rot. Bonds1

About 5-(2,6-dimethylphenyl)-3-hydroxy-8-(trifluoromethyl)phenanthridin-6-one

5-(2,6-dimethylphenyl)-3-hydroxy-8-(trifluoromethyl)phenanthridin-6-one (PubChem CID 102292035) has the molecular formula C22H16F3NO2 and a molecular weight of 383.37 g/mol. Its IUPAC name is 5-(2,6-dimethylphenyl)-3-hydroxy-8-(trifluoromethyl)phenanthridin-6-one.

Molecular Properties

Compound Name5-(2,6-dimethylphenyl)-3-hydroxy-8-(trifluoromethyl)phenanthridin-6-one
PubChem CID102292035
Molecular FormulaC22H16F3NO2
Molecular Weight383.37 g/mol
Exact Mass383.11
IUPAC Name5-(2,6-dimethylphenyl)-3-hydroxy-8-(trifluoromethyl)phenanthridin-6-one
SMILESCc1cccc(C)c1-n1c(=O)c2cc(C(F)(F)F)ccc2c2ccc(O)cc21
InChIInChI=1S/C22H16F3NO2/c1-12-4-3-5-13(2)20(12)26-19-11-15(27)7-9-17(19)16-8-6-14(22(23,24)25)10-18(16)21(26)28/h3-11,27H,1-2H3
InChIKeyZAJKEIHERQLZDS-UHFFFAOYSA-N
XLogP5.49
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.37
LogP ≤ 55.49
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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Related Compounds

5-(2,6-dimethylphenyl)-9-fluoro-3-hydroxyphenanthridin-6-one
CID 66553454
5-tert-butyl-3,8-dihydroxyphenanthridin-6-one
CID 164598717
methyl 4-amino-1-(4-hydroxyphenyl)-2-oxo-7-(trifluoromethyl)quinoline-3-carboxylate
CID 169207314
2-(2-fluoro-3-methylphenyl)-4-(trifluoromethyl)phenol
CID 172879488
3-(trifluoromethyl)phenol;hydrochloride
CID 175833042
8-amino-7-hydroxy-5-methyl-2-(trifluoromethyl)phenanthridin-6-one
CID 154541533
ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole
CID 142508322
9-(3-methyl-2-pyridinyl)carbazol-2-ol
CID 141484021
5-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid
CID 162680935
3-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 18439300
N-(2-ethyl-6-hydroxy-1-phenylindol-3-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58986327
2-methyl-4-(trifluoromethyl)phenol;hydrochloride
CID 172689490

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylphenyl)-3-hydroxy-8-(trifluoromethyl)phenanthridin-6-one?
The IUPAC name of 5-(2,6-dimethylphenyl)-3-hydroxy-8-(trifluoromethyl)phenanthridin-6-one (CID 102292035) is 5-(2,6-dimethylphenyl)-3-hydroxy-8-(trifluoromethyl)phenanthridin-6-one.
What is the SMILES notation for 5-(2,6-dimethylphenyl)-3-hydroxy-8-(trifluoromethyl)phenanthridin-6-one?
The canonical SMILES for 5-(2,6-dimethylphenyl)-3-hydroxy-8-(trifluoromethyl)phenanthridin-6-one is Cc1cccc(C)c1-n1c(=O)c2cc(C(F)(F)F)ccc2c2ccc(O)cc21.
What is the InChIKey of 5-(2,6-dimethylphenyl)-3-hydroxy-8-(trifluoromethyl)phenanthridin-6-one?
The InChIKey is ZAJKEIHERQLZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3NO2/c1-12-4-3-5-13(2)20(12)26-19-11-15(27)7-9-17(19)16-8-6-14(22(23,24)25)10-18(16)21(26)28/h3-11,27H,1-2H3.
What are the key properties of 5-(2,6-dimethylphenyl)-3-hydroxy-8-(trifluoromethyl)phenanthridin-6-one?
5-(2,6-dimethylphenyl)-3-hydroxy-8-(trifluoromethyl)phenanthridin-6-one has a molecular weight of 383.37 g/mol, XLogP of 5.49, 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-8-(trifluoromethyl)phenanthridin-6-one is sourced from PubChem (CID 102292035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).