[(6S)-6-ethyl-8-fluoro-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone

C22H18FNO2 — CID 11530341

IUPAC[(6S)-6-ethyl-8-fluoro-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone
SMILESCC[C@H]1c2cc(F)ccc2-c2ccccc2N1C(=O)c1ccc(O)cc1
InChIInChI=1S/C22H18FNO2/c1-2-20-19-13-15(23)9-12-17(19)18-5-3-4-6-21(18)24(20)22(26)14-7-10-16(25)11-8-14/h3-13,20,25H,2H2,1H3/t20-/m0/s1
InChIKeyOOKHJMYBOLLHBV-FQEVSTJZSA-N
MW347.39 g/mol
LogP5.31
Rot. Bonds2

About [(6S)-6-ethyl-8-fluoro-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone

[(6S)-6-ethyl-8-fluoro-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone (PubChem CID 11530341) has the molecular formula C22H18FNO2 and a molecular weight of 347.39 g/mol. Its IUPAC name is [(6S)-6-ethyl-8-fluoro-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[(6S)-6-ethyl-8-fluoro-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone
PubChem CID11530341
Molecular FormulaC22H18FNO2
Molecular Weight347.39 g/mol
Exact Mass347.13
IUPAC Name[(6S)-6-ethyl-8-fluoro-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone
SMILESCC[C@H]1c2cc(F)ccc2-c2ccccc2N1C(=O)c1ccc(O)cc1
InChIInChI=1S/C22H18FNO2/c1-2-20-19-13-15(23)9-12-17(19)18-5-3-4-6-21(18)24(20)22(26)14-7-10-16(25)11-8-14/h3-13,20,25H,2H2,1H3/t20-/m0/s1
InChIKeyOOKHJMYBOLLHBV-FQEVSTJZSA-N
XLogP5.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.39
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(6S)-6-ethyl-8-fluoro-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [(6S)-6-ethyl-8-fluoro-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone (CID 11530341) is [(6S)-6-ethyl-8-fluoro-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [(6S)-6-ethyl-8-fluoro-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [(6S)-6-ethyl-8-fluoro-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone is CC[C@H]1c2cc(F)ccc2-c2ccccc2N1C(=O)c1ccc(O)cc1.
What is the InChIKey of [(6S)-6-ethyl-8-fluoro-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone?
The InChIKey is OOKHJMYBOLLHBV-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H18FNO2/c1-2-20-19-13-15(23)9-12-17(19)18-5-3-4-6-21(18)24(20)22(26)14-7-10-16(25)11-8-14/h3-13,20,25H,2H2,1H3/t20-/m0/s1.
What are the key properties of [(6S)-6-ethyl-8-fluoro-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone?
[(6S)-6-ethyl-8-fluoro-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone has a molecular weight of 347.39 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-6-ethyl-8-fluoro-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 11530341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).